USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 CYS SG : rot 122:sc= -2.65! USER MOD Set 1.2: A 51 SER OG : rot -36:sc= 0.468 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.363 (180deg=-0.229!) USER MOD Single : A 5 MET CE :methyl -164:sc= -0.053 (180deg=-0.416) USER MOD Single : A 6 THR OG1 : rot -34:sc= 0.263 USER MOD Single : A 7 GLN : amide:sc= -1.67! C(o=-1.7!,f=-4.3!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 10 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.7!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= 1.06 (180deg=-0.339) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.711 USER MOD Single : A 27 HIS : no HD1:sc= 0.0634 K(o=0.063,f=-1.3) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 SER OG : rot 72:sc= 0.62 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 177:sc= -0.785 (180deg=-0.834) USER MOD Single : A 38 ASN : amide:sc= 0.225 X(o=0.23,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc=-0.00928 (180deg=-0.184) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= -0.135 (180deg=-1.49!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -1.09 (180deg=-1.81!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= -0.0609 (180deg=-0.336) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= -0.0165 (180deg=-0.108) USER MOD Single : A 58 THR OG1 : rot -177:sc= 1.39 USER MOD Single : A 67 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.5!) USER MOD Single : A 69 TYR OH : rot 30:sc=-0.00816 USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.039) USER MOD Single : A 73 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.67) USER MOD Single : A 75 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.41) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= -0.0553 (180deg=-0.379) USER MOD Single : A 79 ASN : amide:sc= -1.23 K(o=-1.2,f=-6.1!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.328 -17.934 6.573 1.00 61.20 N ATOM 2 CA MET A 1 27.332 -17.079 5.874 1.00 15.21 C ATOM 3 C MET A 1 26.285 -16.538 6.857 1.00 53.33 C ATOM 4 O MET A 1 25.447 -17.287 7.362 1.00 64.32 O ATOM 5 CB MET A 1 26.633 -17.875 4.762 1.00 71.44 C ATOM 6 CG MET A 1 27.579 -18.440 3.712 1.00 64.44 C ATOM 7 SD MET A 1 28.758 -19.616 4.408 1.00 64.23 S ATOM 8 CE MET A 1 29.710 -20.048 2.953 1.00 70.42 C ATOM 0 H1 MET A 1 28.781 -18.571 5.887 1.00 61.20 H new ATOM 0 H2 MET A 1 29.051 -17.333 7.017 1.00 61.20 H new ATOM 0 H3 MET A 1 27.849 -18.497 7.305 1.00 61.20 H new ATOM 0 HA MET A 1 27.864 -16.236 5.434 1.00 15.21 H new ATOM 0 HB2 MET A 1 26.076 -18.696 5.213 1.00 71.44 H new ATOM 0 HB3 MET A 1 25.906 -17.229 4.270 1.00 71.44 H new ATOM 0 HG2 MET A 1 26.999 -18.931 2.931 1.00 64.44 H new ATOM 0 HG3 MET A 1 28.122 -17.622 3.239 1.00 64.44 H new ATOM 0 HE1 MET A 1 30.481 -20.770 3.224 1.00 70.42 H new ATOM 0 HE2 MET A 1 29.051 -20.485 2.203 1.00 70.42 H new ATOM 0 HE3 MET A 1 30.179 -19.152 2.546 1.00 70.42 H new ATOM 20 N ALA A 2 26.343 -15.237 7.126 1.00 40.01 N ATOM 21 CA ALA A 2 25.393 -14.578 8.028 1.00 21.34 C ATOM 22 C ALA A 2 24.984 -13.203 7.486 1.00 64.53 C ATOM 23 O ALA A 2 25.834 -12.340 7.255 1.00 33.32 O ATOM 24 CB ALA A 2 26.004 -14.444 9.419 1.00 14.05 C ATOM 0 H ALA A 2 27.043 -14.610 6.730 1.00 40.01 H new ATOM 0 HA ALA A 2 24.495 -15.193 8.093 1.00 21.34 H new ATOM 0 HB1 ALA A 2 25.292 -13.954 10.083 1.00 14.05 H new ATOM 0 HB2 ALA A 2 26.242 -15.434 9.809 1.00 14.05 H new ATOM 0 HB3 ALA A 2 26.915 -13.849 9.360 1.00 14.05 H new ATOM 30 N LEU A 3 23.684 -13.005 7.270 1.00 23.21 N ATOM 31 CA LEU A 3 23.180 -11.732 6.741 1.00 52.00 C ATOM 32 C LEU A 3 23.314 -10.584 7.764 1.00 62.24 C ATOM 33 O LEU A 3 22.646 -10.555 8.798 1.00 43.24 O ATOM 34 CB LEU A 3 21.729 -11.880 6.215 1.00 43.35 C ATOM 35 CG LEU A 3 20.756 -12.763 7.038 1.00 43.13 C ATOM 36 CD1 LEU A 3 20.273 -12.060 8.305 1.00 51.55 C ATOM 37 CD2 LEU A 3 19.564 -13.188 6.179 1.00 72.45 C ATOM 0 H LEU A 3 22.963 -13.703 7.451 1.00 23.21 H new ATOM 0 HA LEU A 3 23.808 -11.460 5.892 1.00 52.00 H new ATOM 0 HB2 LEU A 3 21.296 -10.883 6.139 1.00 43.35 H new ATOM 0 HB3 LEU A 3 21.777 -12.285 5.204 1.00 43.35 H new ATOM 0 HG LEU A 3 21.308 -13.650 7.348 1.00 43.13 H new ATOM 0 HD11 LEU A 3 19.594 -12.717 8.849 1.00 51.55 H new ATOM 0 HD12 LEU A 3 21.128 -11.819 8.936 1.00 51.55 H new ATOM 0 HD13 LEU A 3 19.751 -11.142 8.035 1.00 51.55 H new ATOM 0 HD21 LEU A 3 18.891 -13.807 6.772 1.00 72.45 H new ATOM 0 HD22 LEU A 3 19.032 -12.302 5.832 1.00 72.45 H new ATOM 0 HD23 LEU A 3 19.919 -13.758 5.320 1.00 72.45 H new ATOM 49 N ILE A 4 24.209 -9.642 7.469 1.00 51.34 N ATOM 50 CA ILE A 4 24.443 -8.490 8.344 1.00 61.43 C ATOM 51 C ILE A 4 23.707 -7.241 7.825 1.00 23.14 C ATOM 52 O ILE A 4 23.477 -7.094 6.625 1.00 44.43 O ATOM 53 CB ILE A 4 25.961 -8.189 8.471 1.00 72.43 C ATOM 54 CG1 ILE A 4 26.730 -9.471 8.841 1.00 14.40 C ATOM 55 CG2 ILE A 4 26.211 -7.098 9.515 1.00 2.33 C ATOM 56 CD1 ILE A 4 28.232 -9.281 8.964 1.00 72.34 C ATOM 0 H ILE A 4 24.787 -9.653 6.628 1.00 51.34 H new ATOM 0 HA ILE A 4 24.050 -8.743 9.329 1.00 61.43 H new ATOM 0 HB ILE A 4 26.322 -7.830 7.507 1.00 72.43 H new ATOM 0 HG12 ILE A 4 26.344 -9.853 9.786 1.00 14.40 H new ATOM 0 HG13 ILE A 4 26.532 -10.231 8.086 1.00 14.40 H new ATOM 0 HG21 ILE A 4 27.281 -6.903 9.588 1.00 2.33 H new ATOM 0 HG22 ILE A 4 25.695 -6.185 9.218 1.00 2.33 H new ATOM 0 HG23 ILE A 4 25.836 -7.428 10.484 1.00 2.33 H new ATOM 0 HD11 ILE A 4 28.699 -10.230 9.227 1.00 72.34 H new ATOM 0 HD12 ILE A 4 28.633 -8.930 8.013 1.00 72.34 H new ATOM 0 HD13 ILE A 4 28.443 -8.546 9.740 1.00 72.34 H new ATOM 68 N MET A 5 23.331 -6.347 8.738 1.00 51.24 N ATOM 69 CA MET A 5 22.587 -5.127 8.382 1.00 71.33 C ATOM 70 C MET A 5 23.338 -3.847 8.797 1.00 21.21 C ATOM 71 O MET A 5 22.732 -2.790 8.974 1.00 73.13 O ATOM 72 CB MET A 5 21.198 -5.163 9.040 1.00 4.15 C ATOM 73 CG MET A 5 21.237 -5.248 10.561 1.00 65.44 C ATOM 74 SD MET A 5 22.054 -6.744 11.165 1.00 1.22 S ATOM 75 CE MET A 5 20.966 -8.022 10.530 1.00 63.34 C ATOM 0 H MET A 5 23.527 -6.440 9.735 1.00 51.24 H new ATOM 0 HA MET A 5 22.484 -5.102 7.297 1.00 71.33 H new ATOM 0 HB2 MET A 5 20.646 -4.269 8.750 1.00 4.15 H new ATOM 0 HB3 MET A 5 20.645 -6.019 8.652 1.00 4.15 H new ATOM 0 HG2 MET A 5 21.755 -4.374 10.955 1.00 65.44 H new ATOM 0 HG3 MET A 5 20.218 -5.216 10.947 1.00 65.44 H new ATOM 0 HE1 MET A 5 21.168 -8.961 11.046 1.00 63.34 H new ATOM 0 HE2 MET A 5 19.928 -7.732 10.696 1.00 63.34 H new ATOM 0 HE3 MET A 5 21.140 -8.150 9.462 1.00 63.34 H new ATOM 85 N THR A 6 24.664 -3.931 8.915 1.00 34.12 N ATOM 86 CA THR A 6 25.474 -2.780 9.360 1.00 71.34 C ATOM 87 C THR A 6 25.843 -1.846 8.193 1.00 74.14 C ATOM 88 O THR A 6 26.347 -0.741 8.407 1.00 74.21 O ATOM 89 CB THR A 6 26.781 -3.232 10.066 1.00 53.45 C ATOM 90 OG1 THR A 6 27.459 -2.102 10.644 1.00 72.54 O ATOM 91 CG2 THR A 6 27.719 -3.941 9.093 1.00 22.40 C ATOM 0 H THR A 6 25.202 -4.773 8.712 1.00 34.12 H new ATOM 0 HA THR A 6 24.850 -2.236 10.069 1.00 71.34 H new ATOM 0 HB THR A 6 26.502 -3.931 10.855 1.00 53.45 H new ATOM 0 HG1 THR A 6 27.318 -1.313 10.080 1.00 72.54 H new ATOM 0 HG21 THR A 6 28.625 -4.245 9.617 1.00 22.40 H new ATOM 0 HG22 THR A 6 27.223 -4.822 8.685 1.00 22.40 H new ATOM 0 HG23 THR A 6 27.980 -3.263 8.280 1.00 22.40 H new ATOM 99 N GLN A 7 25.599 -2.301 6.966 1.00 5.30 N ATOM 100 CA GLN A 7 25.931 -1.524 5.760 1.00 1.35 C ATOM 101 C GLN A 7 24.783 -0.583 5.342 1.00 35.22 C ATOM 102 O GLN A 7 23.716 -0.569 5.959 1.00 70.10 O ATOM 103 CB GLN A 7 26.298 -2.465 4.592 1.00 34.41 C ATOM 104 CG GLN A 7 25.146 -3.328 4.058 1.00 24.51 C ATOM 105 CD GLN A 7 24.664 -4.391 5.037 1.00 20.13 C ATOM 106 OE1 GLN A 7 25.416 -4.871 5.880 1.00 41.14 O ATOM 107 NE2 GLN A 7 23.403 -4.766 4.935 1.00 44.34 N ATOM 0 H GLN A 7 25.171 -3.207 6.774 1.00 5.30 H new ATOM 0 HA GLN A 7 26.793 -0.904 6.005 1.00 1.35 H new ATOM 0 HB2 GLN A 7 26.690 -1.863 3.772 1.00 34.41 H new ATOM 0 HB3 GLN A 7 27.103 -3.124 4.917 1.00 34.41 H new ATOM 0 HG2 GLN A 7 24.309 -2.679 3.800 1.00 24.51 H new ATOM 0 HG3 GLN A 7 25.467 -3.815 3.137 1.00 24.51 H new ATOM 0 HE21 GLN A 7 22.803 -4.348 4.224 1.00 44.34 H new ATOM 0 HE22 GLN A 7 23.029 -5.473 5.567 1.00 44.34 H new ATOM 116 N GLN A 8 25.016 0.209 4.292 1.00 42.35 N ATOM 117 CA GLN A 8 24.007 1.145 3.779 1.00 44.13 C ATOM 118 C GLN A 8 22.789 0.396 3.211 1.00 53.00 C ATOM 119 O GLN A 8 22.928 -0.508 2.380 1.00 75.52 O ATOM 120 CB GLN A 8 24.637 2.048 2.713 1.00 72.25 C ATOM 121 CG GLN A 8 23.686 3.100 2.147 1.00 54.52 C ATOM 122 CD GLN A 8 24.378 4.075 1.207 1.00 72.00 C ATOM 123 OE1 GLN A 8 25.351 3.733 0.542 1.00 40.41 O ATOM 124 NE2 GLN A 8 23.888 5.302 1.148 1.00 40.23 N ATOM 0 H GLN A 8 25.897 0.222 3.778 1.00 42.35 H new ATOM 0 HA GLN A 8 23.653 1.762 4.605 1.00 44.13 H new ATOM 0 HB2 GLN A 8 25.503 2.551 3.143 1.00 72.25 H new ATOM 0 HB3 GLN A 8 25.003 1.427 1.896 1.00 72.25 H new ATOM 0 HG2 GLN A 8 22.876 2.602 1.614 1.00 54.52 H new ATOM 0 HG3 GLN A 8 23.234 3.654 2.969 1.00 54.52 H new ATOM 0 HE21 GLN A 8 23.078 5.555 1.713 1.00 40.23 H new ATOM 0 HE22 GLN A 8 24.320 5.995 0.537 1.00 40.23 H new ATOM 133 N ASN A 9 21.591 0.776 3.654 1.00 25.13 N ATOM 134 CA ASN A 9 20.368 0.054 3.290 1.00 74.51 C ATOM 135 C ASN A 9 19.796 0.516 1.941 1.00 64.32 C ATOM 136 O ASN A 9 18.797 1.237 1.879 1.00 71.23 O ATOM 137 CB ASN A 9 19.322 0.198 4.395 1.00 5.21 C ATOM 138 CG ASN A 9 18.124 -0.714 4.196 1.00 31.54 C ATOM 139 OD1 ASN A 9 18.227 -1.776 3.594 1.00 42.10 O ATOM 140 ND2 ASN A 9 16.980 -0.319 4.714 1.00 0.00 N ATOM 0 H ASN A 9 21.439 1.579 4.265 1.00 25.13 H new ATOM 0 HA ASN A 9 20.632 -0.998 3.179 1.00 74.51 H new ATOM 0 HB2 ASN A 9 19.784 -0.022 5.357 1.00 5.21 H new ATOM 0 HB3 ASN A 9 18.982 1.233 4.434 1.00 5.21 H new ATOM 0 HD21 ASN A 9 16.149 -0.903 4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.925 0.571 5.210 1.00 0.00 H new ATOM 147 N ASN A 10 20.474 0.101 0.877 1.00 74.44 N ATOM 148 CA ASN A 10 20.021 0.297 -0.515 1.00 45.13 C ATOM 149 C ASN A 10 19.924 1.782 -0.935 1.00 31.44 C ATOM 150 O ASN A 10 19.264 2.591 -0.283 1.00 63.34 O ATOM 151 CB ASN A 10 18.677 -0.412 -0.741 1.00 25.32 C ATOM 152 CG ASN A 10 18.796 -1.921 -0.617 1.00 13.51 C ATOM 153 OD1 ASN A 10 19.659 -2.437 0.085 1.00 1.00 O ATOM 154 ND2 ASN A 10 17.940 -2.644 -1.305 1.00 15.20 N ATOM 0 H ASN A 10 21.366 -0.388 0.947 1.00 74.44 H new ATOM 0 HA ASN A 10 20.787 -0.147 -1.151 1.00 45.13 H new ATOM 0 HB2 ASN A 10 17.949 -0.046 -0.017 1.00 25.32 H new ATOM 0 HB3 ASN A 10 18.297 -0.159 -1.731 1.00 25.32 H new ATOM 0 HD21 ASN A 10 17.983 -3.662 -1.263 1.00 15.20 H new ATOM 0 HD22 ASN A 10 17.233 -2.187 -1.880 1.00 15.20 H new ATOM 161 N PRO A 11 20.552 2.152 -2.074 1.00 14.51 N ATOM 162 CA PRO A 11 20.537 3.540 -2.586 1.00 14.01 C ATOM 163 C PRO A 11 19.208 3.931 -3.275 1.00 74.01 C ATOM 164 O PRO A 11 19.147 4.912 -4.020 1.00 51.34 O ATOM 165 CB PRO A 11 21.693 3.534 -3.596 1.00 13.34 C ATOM 166 CG PRO A 11 21.729 2.135 -4.111 1.00 22.14 C ATOM 167 CD PRO A 11 21.339 1.255 -2.951 1.00 11.10 C ATOM 0 HA PRO A 11 20.639 4.271 -1.783 1.00 14.01 H new ATOM 0 HB2 PRO A 11 21.521 4.249 -4.400 1.00 13.34 H new ATOM 0 HB3 PRO A 11 22.636 3.807 -3.122 1.00 13.34 H new ATOM 0 HG2 PRO A 11 21.039 2.009 -4.946 1.00 22.14 H new ATOM 0 HG3 PRO A 11 22.723 1.880 -4.477 1.00 22.14 H new ATOM 0 HD2 PRO A 11 20.750 0.399 -3.279 1.00 11.10 H new ATOM 0 HD3 PRO A 11 22.215 0.860 -2.436 1.00 11.10 H new ATOM 175 N LEU A 12 18.150 3.160 -3.022 1.00 54.30 N ATOM 176 CA LEU A 12 16.810 3.462 -3.553 1.00 13.55 C ATOM 177 C LEU A 12 15.872 3.900 -2.414 1.00 74.31 C ATOM 178 O LEU A 12 14.690 3.563 -2.399 1.00 74.55 O ATOM 179 CB LEU A 12 16.215 2.233 -4.277 1.00 73.41 C ATOM 180 CG LEU A 12 16.937 1.782 -5.564 1.00 43.41 C ATOM 181 CD1 LEU A 12 17.140 2.957 -6.518 1.00 42.41 C ATOM 182 CD2 LEU A 12 18.269 1.103 -5.247 1.00 51.23 C ATOM 0 H LEU A 12 18.191 2.316 -2.450 1.00 54.30 H new ATOM 0 HA LEU A 12 16.906 4.276 -4.272 1.00 13.55 H new ATOM 0 HB2 LEU A 12 16.206 1.396 -3.579 1.00 73.41 H new ATOM 0 HB3 LEU A 12 15.177 2.452 -4.526 1.00 73.41 H new ATOM 0 HG LEU A 12 16.300 1.049 -6.059 1.00 43.41 H new ATOM 0 HD11 LEU A 12 17.651 2.612 -7.417 1.00 42.41 H new ATOM 0 HD12 LEU A 12 16.171 3.377 -6.790 1.00 42.41 H new ATOM 0 HD13 LEU A 12 17.743 3.722 -6.029 1.00 42.41 H new ATOM 0 HD21 LEU A 12 18.752 0.798 -6.175 1.00 51.23 H new ATOM 0 HD22 LEU A 12 18.915 1.801 -4.714 1.00 51.23 H new ATOM 0 HD23 LEU A 12 18.091 0.226 -4.625 1.00 51.23 H new ATOM 194 N HIS A 13 16.407 4.683 -1.480 1.00 65.43 N ATOM 195 CA HIS A 13 15.679 5.065 -0.264 1.00 33.43 C ATOM 196 C HIS A 13 14.585 6.123 -0.521 1.00 61.33 C ATOM 197 O HIS A 13 13.551 6.129 0.149 1.00 50.12 O ATOM 198 CB HIS A 13 16.676 5.577 0.786 1.00 52.42 C ATOM 199 CG HIS A 13 16.059 5.854 2.123 1.00 24.35 C ATOM 200 ND1 HIS A 13 15.756 7.123 2.563 1.00 13.24 N ATOM 201 CD2 HIS A 13 15.691 5.017 3.126 1.00 53.24 C ATOM 202 CE1 HIS A 13 15.233 7.057 3.770 1.00 64.45 C ATOM 203 NE2 HIS A 13 15.182 5.795 4.131 1.00 34.40 N ATOM 0 H HIS A 13 17.349 5.070 -1.540 1.00 65.43 H new ATOM 0 HA HIS A 13 15.167 4.175 0.101 1.00 33.43 H new ATOM 0 HB2 HIS A 13 17.470 4.840 0.909 1.00 52.42 H new ATOM 0 HB3 HIS A 13 17.142 6.490 0.416 1.00 52.42 H new ATOM 0 HD2 HIS A 13 15.782 3.941 3.130 1.00 53.24 H new ATOM 0 HE1 HIS A 13 14.902 7.897 4.362 1.00 64.45 H new ATOM 0 HE2 HIS A 13 14.820 5.449 5.020 1.00 34.40 H new ATOM 212 N GLY A 14 14.807 7.008 -1.493 1.00 73.10 N ATOM 213 CA GLY A 14 13.876 8.114 -1.741 1.00 32.32 C ATOM 214 C GLY A 14 12.614 7.723 -2.516 1.00 22.43 C ATOM 215 O GLY A 14 12.250 8.379 -3.497 1.00 33.41 O ATOM 0 H GLY A 14 15.614 6.984 -2.117 1.00 73.10 H new ATOM 0 HA2 GLY A 14 13.580 8.544 -0.784 1.00 32.32 H new ATOM 0 HA3 GLY A 14 14.399 8.895 -2.294 1.00 32.32 H new ATOM 219 N ILE A 15 11.927 6.674 -2.067 1.00 62.41 N ATOM 220 CA ILE A 15 10.681 6.228 -2.706 1.00 41.10 C ATOM 221 C ILE A 15 9.445 6.844 -2.024 1.00 24.21 C ATOM 222 O ILE A 15 9.301 6.785 -0.799 1.00 14.23 O ATOM 223 CB ILE A 15 10.569 4.679 -2.685 1.00 1.34 C ATOM 224 CG1 ILE A 15 11.712 4.054 -3.509 1.00 74.20 C ATOM 225 CG2 ILE A 15 9.206 4.218 -3.207 1.00 2.21 C ATOM 226 CD1 ILE A 15 11.680 2.541 -3.562 1.00 23.05 C ATOM 0 H ILE A 15 12.209 6.114 -1.263 1.00 62.41 H new ATOM 0 HA ILE A 15 10.712 6.569 -3.741 1.00 41.10 H new ATOM 0 HB ILE A 15 10.658 4.341 -1.652 1.00 1.34 H new ATOM 0 HG12 ILE A 15 11.667 4.444 -4.526 1.00 74.20 H new ATOM 0 HG13 ILE A 15 12.666 4.372 -3.087 1.00 74.20 H new ATOM 0 HG21 ILE A 15 9.156 3.129 -3.181 1.00 2.21 H new ATOM 0 HG22 ILE A 15 8.417 4.633 -2.580 1.00 2.21 H new ATOM 0 HG23 ILE A 15 9.073 4.563 -4.232 1.00 2.21 H new ATOM 0 HD11 ILE A 15 12.517 2.180 -4.160 1.00 23.05 H new ATOM 0 HD12 ILE A 15 11.757 2.140 -2.551 1.00 23.05 H new ATOM 0 HD13 ILE A 15 10.743 2.212 -4.012 1.00 23.05 H new ATOM 238 N THR A 16 8.558 7.441 -2.825 1.00 43.53 N ATOM 239 CA THR A 16 7.335 8.083 -2.309 1.00 42.45 C ATOM 240 C THR A 16 6.208 7.066 -2.080 1.00 11.21 C ATOM 241 O THR A 16 6.287 5.925 -2.531 1.00 75.51 O ATOM 242 CB THR A 16 6.816 9.168 -3.283 1.00 64.42 C ATOM 243 OG1 THR A 16 6.426 8.566 -4.526 1.00 61.44 O ATOM 244 CG2 THR A 16 7.879 10.230 -3.541 1.00 44.40 C ATOM 0 H THR A 16 8.660 7.496 -3.838 1.00 43.53 H new ATOM 0 HA THR A 16 7.610 8.538 -1.357 1.00 42.45 H new ATOM 0 HB THR A 16 5.953 9.649 -2.822 1.00 64.42 H new ATOM 0 HG1 THR A 16 6.097 9.259 -5.136 1.00 61.44 H new ATOM 0 HG21 THR A 16 7.486 10.979 -4.229 1.00 44.40 H new ATOM 0 HG22 THR A 16 8.151 10.709 -2.600 1.00 44.40 H new ATOM 0 HG23 THR A 16 8.761 9.763 -3.979 1.00 44.40 H new ATOM 252 N LEU A 17 5.147 7.496 -1.394 1.00 73.42 N ATOM 253 CA LEU A 17 3.976 6.640 -1.135 1.00 15.51 C ATOM 254 C LEU A 17 3.376 6.087 -2.444 1.00 43.43 C ATOM 255 O LEU A 17 2.916 4.947 -2.497 1.00 24.22 O ATOM 256 CB LEU A 17 2.904 7.428 -0.364 1.00 24.03 C ATOM 257 CG LEU A 17 1.592 6.670 -0.076 1.00 52.00 C ATOM 258 CD1 LEU A 17 1.842 5.448 0.807 1.00 44.13 C ATOM 259 CD2 LEU A 17 0.561 7.595 0.568 1.00 3.43 C ATOM 0 H LEU A 17 5.070 8.435 -1.004 1.00 73.42 H new ATOM 0 HA LEU A 17 4.311 5.795 -0.534 1.00 15.51 H new ATOM 0 HB2 LEU A 17 3.330 7.752 0.585 1.00 24.03 H new ATOM 0 HB3 LEU A 17 2.665 8.329 -0.930 1.00 24.03 H new ATOM 0 HG LEU A 17 1.194 6.321 -1.029 1.00 52.00 H new ATOM 0 HD11 LEU A 17 0.899 4.934 0.993 1.00 44.13 H new ATOM 0 HD12 LEU A 17 2.531 4.770 0.304 1.00 44.13 H new ATOM 0 HD13 LEU A 17 2.274 5.767 1.755 1.00 44.13 H new ATOM 0 HD21 LEU A 17 -0.356 7.039 0.762 1.00 3.43 H new ATOM 0 HD22 LEU A 17 0.956 7.982 1.507 1.00 3.43 H new ATOM 0 HD23 LEU A 17 0.346 8.425 -0.105 1.00 3.43 H new ATOM 271 N GLN A 18 3.389 6.906 -3.493 1.00 74.24 N ATOM 272 CA GLN A 18 2.884 6.503 -4.811 1.00 73.55 C ATOM 273 C GLN A 18 3.592 5.237 -5.334 1.00 71.43 C ATOM 274 O GLN A 18 2.954 4.209 -5.565 1.00 10.44 O ATOM 275 CB GLN A 18 3.056 7.665 -5.796 1.00 64.45 C ATOM 276 CG GLN A 18 2.688 7.324 -7.235 1.00 23.55 C ATOM 277 CD GLN A 18 2.794 8.519 -8.170 1.00 22.51 C ATOM 278 OE1 GLN A 18 3.575 9.442 -7.943 1.00 62.01 O ATOM 279 NE2 GLN A 18 2.033 8.498 -9.245 1.00 2.41 N ATOM 0 H GLN A 18 3.746 7.861 -3.459 1.00 74.24 H new ATOM 0 HA GLN A 18 1.826 6.259 -4.714 1.00 73.55 H new ATOM 0 HB2 GLN A 18 2.441 8.502 -5.464 1.00 64.45 H new ATOM 0 HB3 GLN A 18 4.093 8.000 -5.768 1.00 64.45 H new ATOM 0 HG2 GLN A 18 3.342 6.529 -7.594 1.00 23.55 H new ATOM 0 HG3 GLN A 18 1.670 6.936 -7.263 1.00 23.55 H new ATOM 0 HE21 GLN A 18 1.396 7.717 -9.404 1.00 2.41 H new ATOM 0 HE22 GLN A 18 2.081 9.262 -9.919 1.00 2.41 H new ATOM 288 N LYS A 19 4.911 5.315 -5.517 1.00 35.22 N ATOM 289 CA LYS A 19 5.690 4.160 -5.985 1.00 43.31 C ATOM 290 C LYS A 19 5.718 3.038 -4.933 1.00 1.14 C ATOM 291 O LYS A 19 5.827 1.861 -5.275 1.00 62.31 O ATOM 292 CB LYS A 19 7.117 4.595 -6.359 1.00 5.13 C ATOM 293 CG LYS A 19 8.024 3.462 -6.855 1.00 22.13 C ATOM 294 CD LYS A 19 7.405 2.686 -8.023 1.00 11.11 C ATOM 295 CE LYS A 19 8.364 1.636 -8.580 1.00 52.11 C ATOM 296 NZ LYS A 19 7.706 0.734 -9.569 1.00 34.41 N ATOM 0 H LYS A 19 5.462 6.157 -5.351 1.00 35.22 H new ATOM 0 HA LYS A 19 5.202 3.762 -6.875 1.00 43.31 H new ATOM 0 HB2 LYS A 19 7.058 5.360 -7.133 1.00 5.13 H new ATOM 0 HB3 LYS A 19 7.581 5.058 -5.488 1.00 5.13 H new ATOM 0 HG2 LYS A 19 8.983 3.877 -7.166 1.00 22.13 H new ATOM 0 HG3 LYS A 19 8.226 2.776 -6.033 1.00 22.13 H new ATOM 0 HD2 LYS A 19 6.488 2.200 -7.691 1.00 11.11 H new ATOM 0 HD3 LYS A 19 7.128 3.382 -8.815 1.00 11.11 H new ATOM 0 HE2 LYS A 19 9.210 2.135 -9.053 1.00 52.11 H new ATOM 0 HE3 LYS A 19 8.764 1.041 -7.759 1.00 52.11 H new ATOM 0 HZ1 LYS A 19 7.668 -0.232 -9.186 1.00 34.41 H new ATOM 0 HZ2 LYS A 19 6.740 1.070 -9.757 1.00 34.41 H new ATOM 0 HZ3 LYS A 19 8.251 0.734 -10.455 1.00 34.41 H new ATOM 310 N LEU A 20 5.609 3.410 -3.657 1.00 20.10 N ATOM 311 CA LEU A 20 5.536 2.435 -2.562 1.00 62.23 C ATOM 312 C LEU A 20 4.317 1.512 -2.743 1.00 52.32 C ATOM 313 O LEU A 20 4.450 0.286 -2.791 1.00 31.43 O ATOM 314 CB LEU A 20 5.481 3.182 -1.212 1.00 61.41 C ATOM 315 CG LEU A 20 5.589 2.323 0.068 1.00 45.31 C ATOM 316 CD1 LEU A 20 6.048 3.178 1.248 1.00 55.04 C ATOM 317 CD2 LEU A 20 4.258 1.649 0.402 1.00 61.05 C ATOM 0 H LEU A 20 5.569 4.383 -3.353 1.00 20.10 H new ATOM 0 HA LEU A 20 6.427 1.807 -2.575 1.00 62.23 H new ATOM 0 HB2 LEU A 20 6.287 3.915 -1.197 1.00 61.41 H new ATOM 0 HB3 LEU A 20 4.544 3.737 -1.170 1.00 61.41 H new ATOM 0 HG LEU A 20 6.328 1.544 -0.120 1.00 45.31 H new ATOM 0 HD11 LEU A 20 6.119 2.557 2.141 1.00 55.04 H new ATOM 0 HD12 LEU A 20 7.025 3.609 1.027 1.00 55.04 H new ATOM 0 HD13 LEU A 20 5.329 3.979 1.419 1.00 55.04 H new ATOM 0 HD21 LEU A 20 4.369 1.053 1.308 1.00 61.05 H new ATOM 0 HD22 LEU A 20 3.494 2.410 0.560 1.00 61.05 H new ATOM 0 HD23 LEU A 20 3.960 1.003 -0.424 1.00 61.05 H new ATOM 329 N LEU A 21 3.129 2.111 -2.851 1.00 2.25 N ATOM 330 CA LEU A 21 1.900 1.356 -3.113 1.00 4.33 C ATOM 331 C LEU A 21 1.999 0.601 -4.447 1.00 70.05 C ATOM 332 O LEU A 21 1.626 -0.569 -4.539 1.00 41.22 O ATOM 333 CB LEU A 21 0.686 2.297 -3.128 1.00 22.20 C ATOM 334 CG LEU A 21 -0.675 1.614 -3.365 1.00 12.13 C ATOM 335 CD1 LEU A 21 -0.995 0.622 -2.246 1.00 50.33 C ATOM 336 CD2 LEU A 21 -1.786 2.653 -3.501 1.00 0.01 C ATOM 0 H LEU A 21 2.991 3.118 -2.761 1.00 2.25 H new ATOM 0 HA LEU A 21 1.771 0.628 -2.312 1.00 4.33 H new ATOM 0 HB2 LEU A 21 0.647 2.827 -2.177 1.00 22.20 H new ATOM 0 HB3 LEU A 21 0.838 3.046 -3.905 1.00 22.20 H new ATOM 0 HG LEU A 21 -0.612 1.057 -4.300 1.00 12.13 H new ATOM 0 HD11 LEU A 21 -1.961 0.155 -2.439 1.00 50.33 H new ATOM 0 HD12 LEU A 21 -0.222 -0.145 -2.208 1.00 50.33 H new ATOM 0 HD13 LEU A 21 -1.031 1.148 -1.292 1.00 50.33 H new ATOM 0 HD21 LEU A 21 -2.738 2.148 -3.668 1.00 0.01 H new ATOM 0 HD22 LEU A 21 -1.844 3.245 -2.588 1.00 0.01 H new ATOM 0 HD23 LEU A 21 -1.570 3.308 -4.345 1.00 0.01 H new ATOM 348 N THR A 22 2.508 1.280 -5.476 1.00 72.44 N ATOM 349 CA THR A 22 2.718 0.661 -6.792 1.00 32.15 C ATOM 350 C THR A 22 3.521 -0.645 -6.689 1.00 20.14 C ATOM 351 O THR A 22 3.137 -1.663 -7.263 1.00 71.22 O ATOM 352 CB THR A 22 3.433 1.632 -7.764 1.00 45.30 C ATOM 353 OG1 THR A 22 2.592 2.764 -8.039 1.00 10.53 O ATOM 354 CG2 THR A 22 3.796 0.949 -9.075 1.00 35.42 C ATOM 0 H THR A 22 2.784 2.261 -5.426 1.00 72.44 H new ATOM 0 HA THR A 22 1.729 0.428 -7.186 1.00 32.15 H new ATOM 0 HB THR A 22 4.353 1.960 -7.280 1.00 45.30 H new ATOM 0 HG1 THR A 22 2.615 3.381 -7.278 1.00 10.53 H new ATOM 0 HG21 THR A 22 4.296 1.662 -9.731 1.00 35.42 H new ATOM 0 HG22 THR A 22 4.463 0.110 -8.876 1.00 35.42 H new ATOM 0 HG23 THR A 22 2.890 0.585 -9.559 1.00 35.42 H new ATOM 362 N GLU A 23 4.631 -0.614 -5.944 1.00 53.12 N ATOM 363 CA GLU A 23 5.440 -1.820 -5.706 1.00 21.12 C ATOM 364 C GLU A 23 4.605 -2.940 -5.067 1.00 22.40 C ATOM 365 O GLU A 23 4.692 -4.104 -5.466 1.00 2.34 O ATOM 366 CB GLU A 23 6.649 -1.494 -4.809 1.00 24.43 C ATOM 367 CG GLU A 23 7.759 -0.713 -5.510 1.00 14.54 C ATOM 368 CD GLU A 23 8.424 -1.508 -6.625 1.00 21.21 C ATOM 369 OE1 GLU A 23 9.350 -2.292 -6.335 1.00 32.12 O ATOM 370 OE2 GLU A 23 8.021 -1.362 -7.795 1.00 62.35 O ATOM 0 H GLU A 23 4.991 0.229 -5.496 1.00 53.12 H new ATOM 0 HA GLU A 23 5.797 -2.170 -6.675 1.00 21.12 H new ATOM 0 HB2 GLU A 23 6.304 -0.920 -3.949 1.00 24.43 H new ATOM 0 HB3 GLU A 23 7.063 -2.426 -4.425 1.00 24.43 H new ATOM 0 HG2 GLU A 23 7.345 0.207 -5.923 1.00 14.54 H new ATOM 0 HG3 GLU A 23 8.512 -0.423 -4.777 1.00 14.54 H new ATOM 377 N LEU A 24 3.792 -2.584 -4.080 1.00 53.11 N ATOM 378 CA LEU A 24 2.941 -3.559 -3.391 1.00 72.11 C ATOM 379 C LEU A 24 1.895 -4.158 -4.340 1.00 53.13 C ATOM 380 O LEU A 24 1.615 -5.358 -4.293 1.00 25.01 O ATOM 381 CB LEU A 24 2.258 -2.900 -2.186 1.00 11.43 C ATOM 382 CG LEU A 24 3.214 -2.287 -1.150 1.00 1.22 C ATOM 383 CD1 LEU A 24 2.436 -1.750 0.043 1.00 21.15 C ATOM 384 CD2 LEU A 24 4.262 -3.308 -0.708 1.00 34.43 C ATOM 0 H LEU A 24 3.701 -1.628 -3.735 1.00 53.11 H new ATOM 0 HA LEU A 24 3.574 -4.374 -3.040 1.00 72.11 H new ATOM 0 HB2 LEU A 24 1.591 -2.118 -2.549 1.00 11.43 H new ATOM 0 HB3 LEU A 24 1.636 -3.644 -1.688 1.00 11.43 H new ATOM 0 HG LEU A 24 3.737 -1.452 -1.617 1.00 1.22 H new ATOM 0 HD11 LEU A 24 3.129 -1.320 0.766 1.00 21.15 H new ATOM 0 HD12 LEU A 24 1.739 -0.982 -0.293 1.00 21.15 H new ATOM 0 HD13 LEU A 24 1.881 -2.563 0.512 1.00 21.15 H new ATOM 0 HD21 LEU A 24 4.928 -2.852 0.025 1.00 34.43 H new ATOM 0 HD22 LEU A 24 3.765 -4.169 -0.261 1.00 34.43 H new ATOM 0 HD23 LEU A 24 4.842 -3.632 -1.572 1.00 34.43 H new ATOM 396 N VAL A 25 1.333 -3.325 -5.206 1.00 35.33 N ATOM 397 CA VAL A 25 0.362 -3.782 -6.206 1.00 51.14 C ATOM 398 C VAL A 25 1.015 -4.709 -7.248 1.00 30.33 C ATOM 399 O VAL A 25 0.466 -5.759 -7.589 1.00 31.22 O ATOM 400 CB VAL A 25 -0.304 -2.584 -6.932 1.00 13.24 C ATOM 401 CG1 VAL A 25 -1.280 -3.059 -8.011 1.00 34.02 C ATOM 402 CG2 VAL A 25 -1.010 -1.673 -5.926 1.00 11.43 C ATOM 0 H VAL A 25 1.530 -2.325 -5.240 1.00 35.33 H new ATOM 0 HA VAL A 25 -0.402 -4.343 -5.667 1.00 51.14 H new ATOM 0 HB VAL A 25 0.482 -2.012 -7.426 1.00 13.24 H new ATOM 0 HG11 VAL A 25 -1.730 -2.195 -8.501 1.00 34.02 H new ATOM 0 HG12 VAL A 25 -0.744 -3.656 -8.749 1.00 34.02 H new ATOM 0 HG13 VAL A 25 -2.062 -3.664 -7.553 1.00 34.02 H new ATOM 0 HG21 VAL A 25 -1.472 -0.838 -6.453 1.00 11.43 H new ATOM 0 HG22 VAL A 25 -1.778 -2.239 -5.399 1.00 11.43 H new ATOM 0 HG23 VAL A 25 -0.284 -1.292 -5.208 1.00 11.43 H new ATOM 412 N GLU A 26 2.190 -4.317 -7.739 1.00 2.42 N ATOM 413 CA GLU A 26 2.898 -5.092 -8.766 1.00 72.33 C ATOM 414 C GLU A 26 3.463 -6.410 -8.206 1.00 30.10 C ATOM 415 O GLU A 26 3.389 -7.452 -8.859 1.00 52.53 O ATOM 416 CB GLU A 26 4.039 -4.264 -9.379 1.00 70.14 C ATOM 417 CG GLU A 26 3.584 -2.983 -10.073 1.00 4.31 C ATOM 418 CD GLU A 26 4.715 -2.281 -10.818 1.00 31.22 C ATOM 419 OE1 GLU A 26 5.522 -1.575 -10.171 1.00 35.23 O ATOM 420 OE2 GLU A 26 4.809 -2.440 -12.053 1.00 33.11 O ATOM 0 H GLU A 26 2.674 -3.469 -7.445 1.00 2.42 H new ATOM 0 HA GLU A 26 2.169 -5.336 -9.538 1.00 72.33 H new ATOM 0 HB2 GLU A 26 4.747 -4.005 -8.592 1.00 70.14 H new ATOM 0 HB3 GLU A 26 4.575 -4.883 -10.099 1.00 70.14 H new ATOM 0 HG2 GLU A 26 2.785 -3.220 -10.775 1.00 4.31 H new ATOM 0 HG3 GLU A 26 3.166 -2.302 -9.332 1.00 4.31 H new ATOM 427 N HIS A 27 4.028 -6.363 -6.998 1.00 33.42 N ATOM 428 CA HIS A 27 4.681 -7.540 -6.400 1.00 43.03 C ATOM 429 C HIS A 27 3.696 -8.450 -5.638 1.00 61.14 C ATOM 430 O HIS A 27 3.708 -9.668 -5.822 1.00 40.44 O ATOM 431 CB HIS A 27 5.822 -7.109 -5.469 1.00 52.34 C ATOM 432 CG HIS A 27 6.942 -6.398 -6.174 1.00 50.42 C ATOM 433 ND1 HIS A 27 7.757 -7.011 -7.099 1.00 1.52 N ATOM 434 CD2 HIS A 27 7.373 -5.117 -6.092 1.00 3.10 C ATOM 435 CE1 HIS A 27 8.634 -6.141 -7.556 1.00 43.05 C ATOM 436 NE2 HIS A 27 8.426 -4.982 -6.963 1.00 43.44 N ATOM 0 H HIS A 27 4.049 -5.528 -6.413 1.00 33.42 H new ATOM 0 HA HIS A 27 5.084 -8.124 -7.228 1.00 43.03 H new ATOM 0 HB2 HIS A 27 5.420 -6.456 -4.694 1.00 52.34 H new ATOM 0 HB3 HIS A 27 6.222 -7.990 -4.967 1.00 52.34 H new ATOM 0 HD2 HIS A 27 6.964 -4.344 -5.458 1.00 3.10 H new ATOM 0 HE1 HIS A 27 9.396 -6.343 -8.294 1.00 43.05 H new ATOM 0 HE2 HIS A 27 8.959 -4.127 -7.124 1.00 43.44 H new ATOM 445 N TYR A 28 2.856 -7.869 -4.779 1.00 2.41 N ATOM 446 CA TYR A 28 1.898 -8.661 -3.988 1.00 62.45 C ATOM 447 C TYR A 28 0.566 -8.837 -4.731 1.00 43.12 C ATOM 448 O TYR A 28 0.247 -9.928 -5.199 1.00 70.50 O ATOM 449 CB TYR A 28 1.644 -8.007 -2.619 1.00 63.14 C ATOM 450 CG TYR A 28 2.862 -7.977 -1.708 1.00 4.22 C ATOM 451 CD1 TYR A 28 3.153 -9.050 -0.869 1.00 52.44 C ATOM 452 CD2 TYR A 28 3.714 -6.875 -1.681 1.00 54.12 C ATOM 453 CE1 TYR A 28 4.253 -9.023 -0.032 1.00 71.42 C ATOM 454 CE2 TYR A 28 4.816 -6.847 -0.848 1.00 51.25 C ATOM 455 CZ TYR A 28 5.082 -7.921 -0.026 1.00 34.01 C ATOM 456 OH TYR A 28 6.172 -7.886 0.812 1.00 51.03 O ATOM 0 H TYR A 28 2.815 -6.864 -4.611 1.00 2.41 H new ATOM 0 HA TYR A 28 2.342 -9.645 -3.836 1.00 62.45 H new ATOM 0 HB2 TYR A 28 1.296 -6.986 -2.775 1.00 63.14 H new ATOM 0 HB3 TYR A 28 0.840 -8.544 -2.115 1.00 63.14 H new ATOM 0 HD1 TYR A 28 2.509 -9.917 -0.872 1.00 52.44 H new ATOM 0 HD2 TYR A 28 3.510 -6.029 -2.321 1.00 54.12 H new ATOM 0 HE1 TYR A 28 4.462 -9.862 0.615 1.00 71.42 H new ATOM 0 HE2 TYR A 28 5.467 -5.986 -0.841 1.00 51.25 H new ATOM 0 HH TYR A 28 6.501 -8.797 0.960 1.00 51.03 H new ATOM 466 N GLY A 29 -0.202 -7.757 -4.855 1.00 35.14 N ATOM 467 CA GLY A 29 -1.507 -7.830 -5.507 1.00 12.34 C ATOM 468 C GLY A 29 -2.645 -7.299 -4.638 1.00 34.22 C ATOM 469 O GLY A 29 -2.568 -7.326 -3.407 1.00 52.41 O ATOM 0 H GLY A 29 0.053 -6.829 -4.516 1.00 35.14 H new ATOM 0 HA2 GLY A 29 -1.473 -7.262 -6.437 1.00 12.34 H new ATOM 0 HA3 GLY A 29 -1.715 -8.866 -5.773 1.00 12.34 H new ATOM 473 N TRP A 30 -3.714 -6.831 -5.286 1.00 73.11 N ATOM 474 CA TRP A 30 -4.848 -6.208 -4.587 1.00 33.35 C ATOM 475 C TRP A 30 -5.510 -7.148 -3.563 1.00 20.42 C ATOM 476 O TRP A 30 -5.869 -6.719 -2.468 1.00 5.44 O ATOM 477 CB TRP A 30 -5.899 -5.722 -5.592 1.00 44.10 C ATOM 478 CG TRP A 30 -5.412 -4.609 -6.476 1.00 73.44 C ATOM 479 CD1 TRP A 30 -5.002 -4.703 -7.774 1.00 54.45 C ATOM 480 CD2 TRP A 30 -5.277 -3.228 -6.114 1.00 21.21 C ATOM 481 NE1 TRP A 30 -4.630 -3.469 -8.241 1.00 55.23 N ATOM 482 CE2 TRP A 30 -4.792 -2.546 -7.241 1.00 62.23 C ATOM 483 CE3 TRP A 30 -5.528 -2.501 -4.946 1.00 44.02 C ATOM 484 CZ2 TRP A 30 -4.549 -1.177 -7.239 1.00 53.21 C ATOM 485 CZ3 TRP A 30 -5.284 -1.141 -4.945 1.00 30.52 C ATOM 486 CH2 TRP A 30 -4.801 -0.490 -6.084 1.00 10.14 C ATOM 0 H TRP A 30 -3.821 -6.871 -6.300 1.00 73.11 H new ATOM 0 HA TRP A 30 -4.441 -5.360 -4.036 1.00 33.35 H new ATOM 0 HB2 TRP A 30 -6.210 -6.561 -6.215 1.00 44.10 H new ATOM 0 HB3 TRP A 30 -6.781 -5.384 -5.048 1.00 44.10 H new ATOM 0 HD1 TRP A 30 -4.975 -5.616 -8.350 1.00 54.45 H new ATOM 0 HE1 TRP A 30 -4.288 -3.270 -9.181 1.00 55.23 H new ATOM 0 HE3 TRP A 30 -5.905 -2.993 -4.062 1.00 44.02 H new ATOM 0 HZ2 TRP A 30 -4.175 -0.674 -8.118 1.00 53.21 H new ATOM 0 HZ3 TRP A 30 -5.470 -0.570 -4.047 1.00 30.52 H new ATOM 0 HH2 TRP A 30 -4.624 0.575 -6.051 1.00 10.14 H new ATOM 497 N GLU A 31 -5.669 -8.424 -3.913 1.00 41.31 N ATOM 498 CA GLU A 31 -6.336 -9.386 -3.022 1.00 52.22 C ATOM 499 C GLU A 31 -5.568 -9.561 -1.700 1.00 34.22 C ATOM 500 O GLU A 31 -6.170 -9.633 -0.626 1.00 75.11 O ATOM 501 CB GLU A 31 -6.509 -10.744 -3.716 1.00 31.10 C ATOM 502 CG GLU A 31 -7.437 -10.703 -4.929 1.00 11.23 C ATOM 503 CD GLU A 31 -7.632 -12.070 -5.569 1.00 53.41 C ATOM 504 OE1 GLU A 31 -8.497 -12.837 -5.096 1.00 62.45 O ATOM 505 OE2 GLU A 31 -6.929 -12.378 -6.553 1.00 51.21 O ATOM 0 H GLU A 31 -5.350 -8.818 -4.798 1.00 41.31 H new ATOM 0 HA GLU A 31 -7.321 -8.982 -2.789 1.00 52.22 H new ATOM 0 HB2 GLU A 31 -5.531 -11.108 -4.031 1.00 31.10 H new ATOM 0 HB3 GLU A 31 -6.900 -11.463 -2.995 1.00 31.10 H new ATOM 0 HG2 GLU A 31 -8.406 -10.307 -4.626 1.00 11.23 H new ATOM 0 HG3 GLU A 31 -7.029 -10.015 -5.670 1.00 11.23 H new ATOM 512 N GLU A 32 -4.240 -9.620 -1.782 1.00 64.31 N ATOM 513 CA GLU A 32 -3.401 -9.737 -0.582 1.00 14.43 C ATOM 514 C GLU A 32 -3.400 -8.428 0.227 1.00 11.45 C ATOM 515 O GLU A 32 -3.460 -8.447 1.458 1.00 32.22 O ATOM 516 CB GLU A 32 -1.969 -10.147 -0.959 1.00 62.24 C ATOM 517 CG GLU A 32 -1.885 -11.554 -1.541 1.00 51.20 C ATOM 518 CD GLU A 32 -0.458 -12.027 -1.782 1.00 73.13 C ATOM 519 OE1 GLU A 32 0.280 -12.218 -0.795 1.00 62.22 O ATOM 520 OE2 GLU A 32 -0.085 -12.256 -2.955 1.00 51.42 O ATOM 0 H GLU A 32 -3.721 -9.589 -2.659 1.00 64.31 H new ATOM 0 HA GLU A 32 -3.826 -10.517 0.049 1.00 14.43 H new ATOM 0 HB2 GLU A 32 -1.572 -9.436 -1.684 1.00 62.24 H new ATOM 0 HB3 GLU A 32 -1.335 -10.087 -0.074 1.00 62.24 H new ATOM 0 HG2 GLU A 32 -2.380 -12.249 -0.863 1.00 51.20 H new ATOM 0 HG3 GLU A 32 -2.433 -11.582 -2.483 1.00 51.20 H new ATOM 527 N LEU A 33 -3.347 -7.291 -0.470 1.00 3.32 N ATOM 528 CA LEU A 33 -3.432 -5.980 0.188 1.00 3.51 C ATOM 529 C LEU A 33 -4.779 -5.808 0.918 1.00 43.14 C ATOM 530 O LEU A 33 -4.831 -5.284 2.030 1.00 2.40 O ATOM 531 CB LEU A 33 -3.241 -4.846 -0.834 1.00 75.11 C ATOM 532 CG LEU A 33 -1.892 -4.841 -1.576 1.00 31.55 C ATOM 533 CD1 LEU A 33 -1.846 -3.709 -2.602 1.00 21.42 C ATOM 534 CD2 LEU A 33 -0.729 -4.728 -0.589 1.00 20.01 C ATOM 0 H LEU A 33 -3.246 -7.248 -1.484 1.00 3.32 H new ATOM 0 HA LEU A 33 -2.632 -5.930 0.927 1.00 3.51 H new ATOM 0 HB2 LEU A 33 -4.041 -4.907 -1.572 1.00 75.11 H new ATOM 0 HB3 LEU A 33 -3.355 -3.893 -0.318 1.00 75.11 H new ATOM 0 HG LEU A 33 -1.792 -5.787 -2.108 1.00 31.55 H new ATOM 0 HD11 LEU A 33 -0.885 -3.722 -3.116 1.00 21.42 H new ATOM 0 HD12 LEU A 33 -2.648 -3.843 -3.328 1.00 21.42 H new ATOM 0 HD13 LEU A 33 -1.973 -2.753 -2.095 1.00 21.42 H new ATOM 0 HD21 LEU A 33 0.214 -4.726 -1.136 1.00 20.01 H new ATOM 0 HD22 LEU A 33 -0.821 -3.801 -0.022 1.00 20.01 H new ATOM 0 HD23 LEU A 33 -0.749 -5.576 0.096 1.00 20.01 H new ATOM 546 N SER A 34 -5.859 -6.269 0.283 1.00 43.44 N ATOM 547 CA SER A 34 -7.211 -6.198 0.867 1.00 2.11 C ATOM 548 C SER A 34 -7.331 -7.057 2.134 1.00 14.12 C ATOM 549 O SER A 34 -8.152 -6.780 3.009 1.00 32.42 O ATOM 550 CB SER A 34 -8.269 -6.665 -0.149 1.00 73.23 C ATOM 551 OG SER A 34 -8.282 -5.847 -1.309 1.00 24.33 O ATOM 0 H SER A 34 -5.828 -6.699 -0.641 1.00 43.44 H new ATOM 0 HA SER A 34 -7.384 -5.155 1.131 1.00 2.11 H new ATOM 0 HB2 SER A 34 -8.068 -7.698 -0.434 1.00 73.23 H new ATOM 0 HB3 SER A 34 -9.254 -6.649 0.318 1.00 73.23 H new ATOM 0 HG SER A 34 -7.482 -6.027 -1.846 1.00 24.33 H new ATOM 557 N TYR A 35 -6.527 -8.116 2.217 1.00 51.22 N ATOM 558 CA TYR A 35 -6.531 -8.997 3.391 1.00 44.31 C ATOM 559 C TYR A 35 -5.787 -8.353 4.573 1.00 65.41 C ATOM 560 O TYR A 35 -6.267 -8.375 5.709 1.00 75.11 O ATOM 561 CB TYR A 35 -5.897 -10.353 3.040 1.00 32.12 C ATOM 562 CG TYR A 35 -5.870 -11.337 4.197 1.00 50.31 C ATOM 563 CD1 TYR A 35 -7.020 -12.016 4.586 1.00 63.11 C ATOM 564 CD2 TYR A 35 -4.696 -11.579 4.904 1.00 1.25 C ATOM 565 CE1 TYR A 35 -7.000 -12.906 5.644 1.00 74.12 C ATOM 566 CE2 TYR A 35 -4.669 -12.467 5.962 1.00 32.45 C ATOM 567 CZ TYR A 35 -5.823 -13.127 6.328 1.00 61.35 C ATOM 568 OH TYR A 35 -5.799 -14.012 7.383 1.00 12.03 O ATOM 0 H TYR A 35 -5.865 -8.387 1.489 1.00 51.22 H new ATOM 0 HA TYR A 35 -7.567 -9.155 3.690 1.00 44.31 H new ATOM 0 HB2 TYR A 35 -6.448 -10.797 2.211 1.00 32.12 H new ATOM 0 HB3 TYR A 35 -4.877 -10.187 2.693 1.00 32.12 H new ATOM 0 HD1 TYR A 35 -7.944 -11.845 4.053 1.00 63.11 H new ATOM 0 HD2 TYR A 35 -3.790 -11.064 4.621 1.00 1.25 H new ATOM 0 HE1 TYR A 35 -7.902 -13.425 5.933 1.00 74.12 H new ATOM 0 HE2 TYR A 35 -3.749 -12.643 6.500 1.00 32.45 H new ATOM 0 HH TYR A 35 -4.893 -14.053 7.755 1.00 12.03 H new ATOM 578 N MET A 36 -4.616 -7.783 4.291 1.00 33.43 N ATOM 579 CA MET A 36 -3.786 -7.141 5.322 1.00 41.20 C ATOM 580 C MET A 36 -4.380 -5.792 5.775 1.00 62.32 C ATOM 581 O MET A 36 -4.626 -5.579 6.962 1.00 44.14 O ATOM 582 CB MET A 36 -2.355 -6.950 4.796 1.00 4.35 C ATOM 583 CG MET A 36 -1.612 -8.264 4.568 1.00 34.41 C ATOM 584 SD MET A 36 0.024 -8.034 3.843 1.00 32.21 S ATOM 585 CE MET A 36 -0.397 -7.462 2.197 1.00 74.54 C ATOM 0 H MET A 36 -4.215 -7.750 3.354 1.00 33.43 H new ATOM 0 HA MET A 36 -3.765 -7.795 6.193 1.00 41.20 H new ATOM 0 HB2 MET A 36 -2.392 -6.395 3.859 1.00 4.35 H new ATOM 0 HB3 MET A 36 -1.793 -6.342 5.505 1.00 4.35 H new ATOM 0 HG2 MET A 36 -1.511 -8.788 5.519 1.00 34.41 H new ATOM 0 HG3 MET A 36 -2.206 -8.902 3.914 1.00 34.41 H new ATOM 0 HE1 MET A 36 0.515 -7.227 1.649 1.00 74.54 H new ATOM 0 HE2 MET A 36 -0.946 -8.242 1.670 1.00 74.54 H new ATOM 0 HE3 MET A 36 -1.017 -6.568 2.270 1.00 74.54 H new ATOM 595 N VAL A 37 -4.606 -4.885 4.826 1.00 1.41 N ATOM 596 CA VAL A 37 -5.262 -3.604 5.117 1.00 51.40 C ATOM 597 C VAL A 37 -6.720 -3.639 4.634 1.00 43.31 C ATOM 598 O VAL A 37 -7.049 -3.160 3.545 1.00 13.14 O ATOM 599 CB VAL A 37 -4.517 -2.409 4.458 1.00 41.55 C ATOM 600 CG1 VAL A 37 -5.146 -1.076 4.865 1.00 34.10 C ATOM 601 CG2 VAL A 37 -3.032 -2.442 4.813 1.00 61.42 C ATOM 0 H VAL A 37 -4.346 -5.010 3.848 1.00 1.41 H new ATOM 0 HA VAL A 37 -5.235 -3.458 6.197 1.00 51.40 H new ATOM 0 HB VAL A 37 -4.613 -2.505 3.376 1.00 41.55 H new ATOM 0 HG11 VAL A 37 -4.605 -0.258 4.389 1.00 34.10 H new ATOM 0 HG12 VAL A 37 -6.189 -1.054 4.548 1.00 34.10 H new ATOM 0 HG13 VAL A 37 -5.094 -0.965 5.948 1.00 34.10 H new ATOM 0 HG21 VAL A 37 -2.527 -1.598 4.343 1.00 61.42 H new ATOM 0 HG22 VAL A 37 -2.915 -2.378 5.895 1.00 61.42 H new ATOM 0 HG23 VAL A 37 -2.593 -3.373 4.455 1.00 61.42 H new ATOM 611 N ASN A 38 -7.589 -4.232 5.448 1.00 1.23 N ATOM 612 CA ASN A 38 -8.984 -4.442 5.060 1.00 53.22 C ATOM 613 C ASN A 38 -9.800 -3.147 5.171 1.00 62.20 C ATOM 614 O ASN A 38 -10.419 -2.863 6.199 1.00 25.33 O ATOM 615 CB ASN A 38 -9.608 -5.561 5.905 1.00 12.53 C ATOM 616 CG ASN A 38 -10.913 -6.065 5.324 1.00 22.11 C ATOM 617 OD1 ASN A 38 -11.997 -5.620 5.694 1.00 34.31 O ATOM 618 ND2 ASN A 38 -10.817 -6.986 4.390 1.00 32.33 N ATOM 0 H ASN A 38 -7.354 -4.576 6.379 1.00 1.23 H new ATOM 0 HA ASN A 38 -9.002 -4.746 4.014 1.00 53.22 H new ATOM 0 HB2 ASN A 38 -8.904 -6.390 5.982 1.00 12.53 H new ATOM 0 HB3 ASN A 38 -9.782 -5.195 6.917 1.00 12.53 H new ATOM 0 HD21 ASN A 38 -11.659 -7.354 3.948 1.00 32.33 H new ATOM 0 HD22 ASN A 38 -9.900 -7.332 4.108 1.00 32.33 H new ATOM 625 N ILE A 39 -9.751 -2.346 4.109 1.00 43.13 N ATOM 626 CA ILE A 39 -10.532 -1.108 4.009 1.00 64.25 C ATOM 627 C ILE A 39 -11.398 -1.120 2.745 1.00 21.20 C ATOM 628 O ILE A 39 -11.047 -1.762 1.750 1.00 64.21 O ATOM 629 CB ILE A 39 -9.608 0.140 3.982 1.00 74.34 C ATOM 630 CG1 ILE A 39 -8.564 0.006 2.860 1.00 53.22 C ATOM 631 CG2 ILE A 39 -8.928 0.339 5.336 1.00 24.12 C ATOM 632 CD1 ILE A 39 -7.622 1.187 2.741 1.00 62.44 C ATOM 0 H ILE A 39 -9.170 -2.534 3.292 1.00 43.13 H new ATOM 0 HA ILE A 39 -11.172 -1.053 4.890 1.00 64.25 H new ATOM 0 HB ILE A 39 -10.219 1.020 3.781 1.00 74.34 H new ATOM 0 HG12 ILE A 39 -7.977 -0.896 3.032 1.00 53.22 H new ATOM 0 HG13 ILE A 39 -9.083 -0.127 1.911 1.00 53.22 H new ATOM 0 HG21 ILE A 39 -8.285 1.219 5.295 1.00 24.12 H new ATOM 0 HG22 ILE A 39 -9.686 0.479 6.107 1.00 24.12 H new ATOM 0 HG23 ILE A 39 -8.327 -0.539 5.574 1.00 24.12 H new ATOM 0 HD11 ILE A 39 -6.919 1.011 1.927 1.00 62.44 H new ATOM 0 HD12 ILE A 39 -8.196 2.091 2.536 1.00 62.44 H new ATOM 0 HD13 ILE A 39 -7.073 1.310 3.674 1.00 62.44 H new ATOM 644 N ASN A 40 -12.530 -0.418 2.777 1.00 70.01 N ATOM 645 CA ASN A 40 -13.414 -0.334 1.609 1.00 53.22 C ATOM 646 C ASN A 40 -12.789 0.549 0.511 1.00 32.24 C ATOM 647 O ASN A 40 -13.248 1.661 0.240 1.00 42.22 O ATOM 648 CB ASN A 40 -14.796 0.197 2.017 1.00 32.00 C ATOM 649 CG ASN A 40 -15.831 0.042 0.914 1.00 1.40 C ATOM 650 OD1 ASN A 40 -15.773 -0.888 0.114 1.00 22.11 O ATOM 651 ND2 ASN A 40 -16.786 0.949 0.861 1.00 4.32 N ATOM 0 H ASN A 40 -12.858 0.099 3.593 1.00 70.01 H new ATOM 0 HA ASN A 40 -13.540 -1.337 1.202 1.00 53.22 H new ATOM 0 HB2 ASN A 40 -15.136 -0.333 2.907 1.00 32.00 H new ATOM 0 HB3 ASN A 40 -14.712 1.250 2.286 1.00 32.00 H new ATOM 0 HD21 ASN A 40 -17.505 0.891 0.140 1.00 4.32 H new ATOM 0 HD22 ASN A 40 -16.806 1.709 1.541 1.00 4.32 H new ATOM 658 N CYS A 41 -11.716 0.045 -0.094 1.00 63.24 N ATOM 659 CA CYS A 41 -10.999 0.760 -1.156 1.00 14.54 C ATOM 660 C CYS A 41 -10.322 -0.219 -2.122 1.00 43.21 C ATOM 661 O CYS A 41 -10.514 -0.144 -3.333 1.00 71.13 O ATOM 662 CB CYS A 41 -9.945 1.698 -0.558 1.00 22.02 C ATOM 663 SG CYS A 41 -8.958 2.578 -1.790 1.00 10.22 S ATOM 0 H CYS A 41 -11.318 -0.866 0.134 1.00 63.24 H new ATOM 0 HA CYS A 41 -11.732 1.348 -1.709 1.00 14.54 H new ATOM 0 HB2 CYS A 41 -10.443 2.427 0.081 1.00 22.02 H new ATOM 0 HB3 CYS A 41 -9.278 1.118 0.080 1.00 22.02 H new ATOM 0 HG CYS A 41 -9.083 3.860 -1.611 1.00 10.22 H new ATOM 669 N PHE A 42 -9.513 -1.129 -1.581 1.00 32.24 N ATOM 670 CA PHE A 42 -8.894 -2.183 -2.395 1.00 70.21 C ATOM 671 C PHE A 42 -9.958 -3.201 -2.844 1.00 22.13 C ATOM 672 O PHE A 42 -9.869 -3.785 -3.925 1.00 32.42 O ATOM 673 CB PHE A 42 -7.789 -2.895 -1.601 1.00 34.24 C ATOM 674 CG PHE A 42 -6.778 -1.966 -0.967 1.00 44.44 C ATOM 675 CD1 PHE A 42 -6.351 -0.815 -1.618 1.00 10.35 C ATOM 676 CD2 PHE A 42 -6.255 -2.246 0.289 1.00 22.41 C ATOM 677 CE1 PHE A 42 -5.431 0.032 -1.029 1.00 72.13 C ATOM 678 CE2 PHE A 42 -5.335 -1.401 0.880 1.00 21.11 C ATOM 679 CZ PHE A 42 -4.921 -0.260 0.219 1.00 54.22 C ATOM 0 H PHE A 42 -9.270 -1.161 -0.591 1.00 32.24 H new ATOM 0 HA PHE A 42 -8.449 -1.722 -3.277 1.00 70.21 H new ATOM 0 HB2 PHE A 42 -8.251 -3.498 -0.819 1.00 34.24 H new ATOM 0 HB3 PHE A 42 -7.266 -3.582 -2.266 1.00 34.24 H new ATOM 0 HD1 PHE A 42 -6.743 -0.579 -2.596 1.00 10.35 H new ATOM 0 HD2 PHE A 42 -6.572 -3.137 0.811 1.00 22.41 H new ATOM 0 HE1 PHE A 42 -5.111 0.924 -1.547 1.00 72.13 H new ATOM 0 HE2 PHE A 42 -4.940 -1.632 1.858 1.00 21.11 H new ATOM 0 HZ PHE A 42 -4.201 0.401 0.678 1.00 54.22 H new ATOM 689 N LYS A 43 -10.956 -3.406 -1.985 1.00 42.21 N ATOM 690 CA LYS A 43 -12.109 -4.254 -2.304 1.00 53.53 C ATOM 691 C LYS A 43 -13.013 -3.559 -3.343 1.00 2.31 C ATOM 692 O LYS A 43 -13.311 -4.115 -4.403 1.00 11.41 O ATOM 693 CB LYS A 43 -12.894 -4.553 -1.005 1.00 60.40 C ATOM 694 CG LYS A 43 -13.980 -5.636 -1.109 1.00 51.52 C ATOM 695 CD LYS A 43 -15.183 -5.203 -1.954 1.00 23.04 C ATOM 696 CE LYS A 43 -16.350 -6.181 -1.844 1.00 32.25 C ATOM 697 NZ LYS A 43 -16.957 -6.178 -0.483 1.00 34.12 N ATOM 0 H LYS A 43 -10.990 -2.993 -1.053 1.00 42.21 H new ATOM 0 HA LYS A 43 -11.764 -5.193 -2.735 1.00 53.53 H new ATOM 0 HB2 LYS A 43 -12.183 -4.852 -0.235 1.00 60.40 H new ATOM 0 HB3 LYS A 43 -13.362 -3.629 -0.666 1.00 60.40 H new ATOM 0 HG2 LYS A 43 -13.545 -6.537 -1.542 1.00 51.52 H new ATOM 0 HG3 LYS A 43 -14.322 -5.896 -0.107 1.00 51.52 H new ATOM 0 HD2 LYS A 43 -15.510 -4.213 -1.636 1.00 23.04 H new ATOM 0 HD3 LYS A 43 -14.880 -5.118 -2.998 1.00 23.04 H new ATOM 0 HE2 LYS A 43 -17.111 -5.921 -2.580 1.00 32.25 H new ATOM 0 HE3 LYS A 43 -16.004 -7.186 -2.084 1.00 32.25 H new ATOM 0 HZ1 LYS A 43 -17.868 -6.679 -0.508 1.00 34.12 H new ATOM 0 HZ2 LYS A 43 -16.317 -6.655 0.184 1.00 34.12 H new ATOM 0 HZ3 LYS A 43 -17.110 -5.197 -0.173 1.00 34.12 H new ATOM 711 N LYS A 44 -13.449 -2.344 -3.020 1.00 45.33 N ATOM 712 CA LYS A 44 -14.373 -1.592 -3.876 1.00 21.55 C ATOM 713 C LYS A 44 -13.639 -0.483 -4.650 1.00 11.42 C ATOM 714 O LYS A 44 -13.218 0.521 -4.068 1.00 4.41 O ATOM 715 CB LYS A 44 -15.497 -0.988 -3.017 1.00 42.12 C ATOM 716 CG LYS A 44 -16.651 -0.353 -3.803 1.00 2.02 C ATOM 717 CD LYS A 44 -17.478 -1.389 -4.574 1.00 51.11 C ATOM 718 CE LYS A 44 -16.968 -1.607 -5.998 1.00 24.34 C ATOM 719 NZ LYS A 44 -17.180 -0.411 -6.857 1.00 33.34 N ATOM 0 H LYS A 44 -13.177 -1.854 -2.168 1.00 45.33 H new ATOM 0 HA LYS A 44 -14.803 -2.278 -4.606 1.00 21.55 H new ATOM 0 HB2 LYS A 44 -15.903 -1.771 -2.376 1.00 42.12 H new ATOM 0 HB3 LYS A 44 -15.065 -0.231 -2.362 1.00 42.12 H new ATOM 0 HG2 LYS A 44 -17.301 0.187 -3.115 1.00 2.02 H new ATOM 0 HG3 LYS A 44 -16.249 0.380 -4.503 1.00 2.02 H new ATOM 0 HD2 LYS A 44 -17.459 -2.337 -4.036 1.00 51.11 H new ATOM 0 HD3 LYS A 44 -18.518 -1.064 -4.610 1.00 51.11 H new ATOM 0 HE2 LYS A 44 -15.905 -1.848 -5.969 1.00 24.34 H new ATOM 0 HE3 LYS A 44 -17.478 -2.464 -6.438 1.00 24.34 H new ATOM 0 HZ1 LYS A 44 -16.425 -0.358 -7.571 1.00 33.34 H new ATOM 0 HZ2 LYS A 44 -18.102 -0.484 -7.333 1.00 33.34 H new ATOM 0 HZ3 LYS A 44 -17.161 0.447 -6.269 1.00 33.34 H new ATOM 733 N ASP A 45 -13.498 -0.686 -5.964 1.00 34.20 N ATOM 734 CA ASP A 45 -12.825 0.264 -6.864 1.00 25.13 C ATOM 735 C ASP A 45 -11.311 0.351 -6.586 1.00 73.43 C ATOM 736 O ASP A 45 -10.809 1.359 -6.078 1.00 14.21 O ATOM 737 CB ASP A 45 -13.474 1.655 -6.785 1.00 55.20 C ATOM 738 CG ASP A 45 -14.969 1.595 -7.035 1.00 62.43 C ATOM 739 OD1 ASP A 45 -15.377 1.233 -8.157 1.00 54.03 O ATOM 740 OD2 ASP A 45 -15.754 1.900 -6.109 1.00 73.03 O ATOM 0 H ASP A 45 -13.849 -1.518 -6.438 1.00 34.20 H new ATOM 0 HA ASP A 45 -12.948 -0.116 -7.878 1.00 25.13 H new ATOM 0 HB2 ASP A 45 -13.287 2.088 -5.802 1.00 55.20 H new ATOM 0 HB3 ASP A 45 -13.009 2.315 -7.518 1.00 55.20 H new ATOM 745 N PRO A 46 -10.559 -0.721 -6.913 1.00 2.24 N ATOM 746 CA PRO A 46 -9.106 -0.773 -6.685 1.00 60.21 C ATOM 747 C PRO A 46 -8.306 0.061 -7.706 1.00 3.21 C ATOM 748 O PRO A 46 -7.624 -0.478 -8.582 1.00 12.45 O ATOM 749 CB PRO A 46 -8.792 -2.269 -6.820 1.00 54.43 C ATOM 750 CG PRO A 46 -9.818 -2.779 -7.777 1.00 44.42 C ATOM 751 CD PRO A 46 -11.066 -1.971 -7.525 1.00 71.52 C ATOM 0 HA PRO A 46 -8.825 -0.348 -5.721 1.00 60.21 H new ATOM 0 HB2 PRO A 46 -7.782 -2.431 -7.197 1.00 54.43 H new ATOM 0 HB3 PRO A 46 -8.858 -2.777 -5.858 1.00 54.43 H new ATOM 0 HG2 PRO A 46 -9.481 -2.664 -8.807 1.00 44.42 H new ATOM 0 HG3 PRO A 46 -10.004 -3.841 -7.619 1.00 44.42 H new ATOM 0 HD2 PRO A 46 -11.608 -1.773 -8.450 1.00 71.52 H new ATOM 0 HD3 PRO A 46 -11.753 -2.493 -6.859 1.00 71.52 H new ATOM 759 N SER A 47 -8.407 1.383 -7.595 1.00 63.44 N ATOM 760 CA SER A 47 -7.653 2.301 -8.462 1.00 11.03 C ATOM 761 C SER A 47 -6.491 2.941 -7.701 1.00 4.12 C ATOM 762 O SER A 47 -6.669 3.416 -6.581 1.00 72.30 O ATOM 763 CB SER A 47 -8.568 3.402 -9.011 1.00 52.42 C ATOM 764 OG SER A 47 -7.827 4.381 -9.724 1.00 24.43 O ATOM 0 H SER A 47 -9.004 1.849 -6.912 1.00 63.44 H new ATOM 0 HA SER A 47 -7.255 1.718 -9.292 1.00 11.03 H new ATOM 0 HB2 SER A 47 -9.318 2.961 -9.668 1.00 52.42 H new ATOM 0 HB3 SER A 47 -9.104 3.876 -8.189 1.00 52.42 H new ATOM 0 HG SER A 47 -8.436 5.069 -10.064 1.00 24.43 H new ATOM 770 N ILE A 48 -5.312 2.975 -8.325 1.00 43.11 N ATOM 771 CA ILE A 48 -4.105 3.521 -7.688 1.00 72.21 C ATOM 772 C ILE A 48 -4.345 4.926 -7.105 1.00 22.34 C ATOM 773 O ILE A 48 -4.005 5.200 -5.951 1.00 44.01 O ATOM 774 CB ILE A 48 -2.914 3.581 -8.685 1.00 62.14 C ATOM 775 CG1 ILE A 48 -2.593 2.179 -9.237 1.00 53.05 C ATOM 776 CG2 ILE A 48 -1.678 4.193 -8.021 1.00 74.22 C ATOM 777 CD1 ILE A 48 -2.116 1.193 -8.185 1.00 31.13 C ATOM 0 H ILE A 48 -5.164 2.631 -9.274 1.00 43.11 H new ATOM 0 HA ILE A 48 -3.858 2.842 -6.872 1.00 72.21 H new ATOM 0 HB ILE A 48 -3.204 4.220 -9.519 1.00 62.14 H new ATOM 0 HG12 ILE A 48 -3.484 1.777 -9.719 1.00 53.05 H new ATOM 0 HG13 ILE A 48 -1.828 2.270 -10.008 1.00 53.05 H new ATOM 0 HG21 ILE A 48 -0.858 4.224 -8.738 1.00 74.22 H new ATOM 0 HG22 ILE A 48 -1.908 5.205 -7.688 1.00 74.22 H new ATOM 0 HG23 ILE A 48 -1.387 3.586 -7.164 1.00 74.22 H new ATOM 0 HD11 ILE A 48 -1.911 0.231 -8.654 1.00 31.13 H new ATOM 0 HD12 ILE A 48 -1.206 1.570 -7.719 1.00 31.13 H new ATOM 0 HD13 ILE A 48 -2.888 1.069 -7.426 1.00 31.13 H new ATOM 789 N LYS A 49 -4.959 5.809 -7.895 1.00 4.42 N ATOM 790 CA LYS A 49 -5.194 7.191 -7.459 1.00 52.32 C ATOM 791 C LYS A 49 -6.260 7.234 -6.355 1.00 54.02 C ATOM 792 O LYS A 49 -6.141 7.993 -5.394 1.00 0.42 O ATOM 793 CB LYS A 49 -5.602 8.073 -8.658 1.00 20.13 C ATOM 794 CG LYS A 49 -5.481 9.584 -8.414 1.00 13.35 C ATOM 795 CD LYS A 49 -6.661 10.171 -7.628 1.00 1.40 C ATOM 796 CE LYS A 49 -7.856 10.520 -8.519 1.00 3.14 C ATOM 797 NZ LYS A 49 -8.455 9.333 -9.187 1.00 4.41 N ATOM 0 H LYS A 49 -5.301 5.597 -8.832 1.00 4.42 H new ATOM 0 HA LYS A 49 -4.266 7.588 -7.047 1.00 52.32 H new ATOM 0 HB2 LYS A 49 -4.983 7.806 -9.515 1.00 20.13 H new ATOM 0 HB3 LYS A 49 -6.633 7.844 -8.926 1.00 20.13 H new ATOM 0 HG2 LYS A 49 -4.557 9.784 -7.871 1.00 13.35 H new ATOM 0 HG3 LYS A 49 -5.404 10.094 -9.374 1.00 13.35 H new ATOM 0 HD2 LYS A 49 -6.977 9.456 -6.869 1.00 1.40 H new ATOM 0 HD3 LYS A 49 -6.331 11.068 -7.103 1.00 1.40 H new ATOM 0 HE2 LYS A 49 -8.619 11.013 -7.916 1.00 3.14 H new ATOM 0 HE3 LYS A 49 -7.538 11.235 -9.278 1.00 3.14 H new ATOM 0 HZ1 LYS A 49 -9.419 9.562 -9.503 1.00 4.41 H new ATOM 0 HZ2 LYS A 49 -7.875 9.067 -10.008 1.00 4.41 H new ATOM 0 HZ3 LYS A 49 -8.491 8.539 -8.517 1.00 4.41 H new ATOM 811 N SER A 50 -7.299 6.409 -6.494 1.00 72.33 N ATOM 812 CA SER A 50 -8.366 6.326 -5.483 1.00 73.52 C ATOM 813 C SER A 50 -7.813 5.856 -4.131 1.00 40.41 C ATOM 814 O SER A 50 -8.143 6.415 -3.082 1.00 11.33 O ATOM 815 CB SER A 50 -9.478 5.372 -5.940 1.00 43.10 C ATOM 816 OG SER A 50 -10.563 5.364 -5.018 1.00 44.31 O ATOM 0 H SER A 50 -7.429 5.788 -7.293 1.00 72.33 H new ATOM 0 HA SER A 50 -8.780 7.327 -5.364 1.00 73.52 H new ATOM 0 HB2 SER A 50 -9.837 5.673 -6.924 1.00 43.10 H new ATOM 0 HB3 SER A 50 -9.076 4.364 -6.041 1.00 43.10 H new ATOM 0 HG SER A 50 -11.257 4.749 -5.335 1.00 44.31 H new ATOM 822 N SER A 51 -6.968 4.827 -4.169 1.00 3.52 N ATOM 823 CA SER A 51 -6.331 4.292 -2.959 1.00 11.45 C ATOM 824 C SER A 51 -5.458 5.353 -2.280 1.00 43.24 C ATOM 825 O SER A 51 -5.610 5.615 -1.091 1.00 74.01 O ATOM 826 CB SER A 51 -5.492 3.049 -3.294 1.00 52.43 C ATOM 827 OG SER A 51 -6.301 2.000 -3.805 1.00 75.35 O ATOM 0 H SER A 51 -6.705 4.343 -5.027 1.00 3.52 H new ATOM 0 HA SER A 51 -7.121 4.005 -2.265 1.00 11.45 H new ATOM 0 HB2 SER A 51 -4.728 3.311 -4.026 1.00 52.43 H new ATOM 0 HB3 SER A 51 -4.972 2.707 -2.399 1.00 52.43 H new ATOM 0 HG SER A 51 -7.166 2.000 -3.344 1.00 75.35 H new ATOM 833 N LEU A 52 -4.553 5.968 -3.043 1.00 63.44 N ATOM 834 CA LEU A 52 -3.712 7.056 -2.519 1.00 55.34 C ATOM 835 C LEU A 52 -4.572 8.181 -1.923 1.00 12.43 C ATOM 836 O LEU A 52 -4.275 8.708 -0.850 1.00 64.21 O ATOM 837 CB LEU A 52 -2.814 7.621 -3.631 1.00 71.54 C ATOM 838 CG LEU A 52 -1.767 6.646 -4.199 1.00 61.42 C ATOM 839 CD1 LEU A 52 -1.012 7.286 -5.364 1.00 73.41 C ATOM 840 CD2 LEU A 52 -0.796 6.199 -3.108 1.00 43.13 C ATOM 0 H LEU A 52 -4.381 5.736 -4.021 1.00 63.44 H new ATOM 0 HA LEU A 52 -3.086 6.643 -1.728 1.00 55.34 H new ATOM 0 HB2 LEU A 52 -3.449 7.961 -4.449 1.00 71.54 H new ATOM 0 HB3 LEU A 52 -2.295 8.498 -3.244 1.00 71.54 H new ATOM 0 HG LEU A 52 -2.289 5.765 -4.572 1.00 61.42 H new ATOM 0 HD11 LEU A 52 -0.276 6.581 -5.752 1.00 73.41 H new ATOM 0 HD12 LEU A 52 -1.716 7.547 -6.154 1.00 73.41 H new ATOM 0 HD13 LEU A 52 -0.504 8.186 -5.018 1.00 73.41 H new ATOM 0 HD21 LEU A 52 -0.065 5.510 -3.532 1.00 43.13 H new ATOM 0 HD22 LEU A 52 -0.281 7.069 -2.700 1.00 43.13 H new ATOM 0 HD23 LEU A 52 -1.348 5.698 -2.313 1.00 43.13 H new ATOM 852 N LYS A 53 -5.650 8.527 -2.625 1.00 61.54 N ATOM 853 CA LYS A 53 -6.587 9.568 -2.183 1.00 43.13 C ATOM 854 C LYS A 53 -7.168 9.262 -0.789 1.00 13.22 C ATOM 855 O LYS A 53 -7.441 10.172 0.003 1.00 72.43 O ATOM 856 CB LYS A 53 -7.720 9.695 -3.214 1.00 50.35 C ATOM 857 CG LYS A 53 -8.733 10.792 -2.906 1.00 64.23 C ATOM 858 CD LYS A 53 -9.891 10.787 -3.906 1.00 44.51 C ATOM 859 CE LYS A 53 -10.910 11.877 -3.593 1.00 24.33 C ATOM 860 NZ LYS A 53 -11.437 11.766 -2.209 1.00 52.25 N ATOM 0 H LYS A 53 -5.901 8.097 -3.515 1.00 61.54 H new ATOM 0 HA LYS A 53 -6.043 10.510 -2.106 1.00 43.13 H new ATOM 0 HB2 LYS A 53 -7.283 9.886 -4.194 1.00 50.35 H new ATOM 0 HB3 LYS A 53 -8.244 8.741 -3.279 1.00 50.35 H new ATOM 0 HG2 LYS A 53 -9.122 10.656 -1.897 1.00 64.23 H new ATOM 0 HG3 LYS A 53 -8.237 11.762 -2.928 1.00 64.23 H new ATOM 0 HD2 LYS A 53 -9.502 10.931 -4.914 1.00 44.51 H new ATOM 0 HD3 LYS A 53 -10.382 9.814 -3.890 1.00 44.51 H new ATOM 0 HE2 LYS A 53 -10.448 12.855 -3.727 1.00 24.33 H new ATOM 0 HE3 LYS A 53 -11.736 11.815 -4.301 1.00 24.33 H new ATOM 0 HZ1 LYS A 53 -12.457 11.968 -2.209 1.00 52.25 H new ATOM 0 HZ2 LYS A 53 -11.275 10.803 -1.852 1.00 52.25 H new ATOM 0 HZ3 LYS A 53 -10.949 12.449 -1.596 1.00 52.25 H new ATOM 874 N PHE A 54 -7.354 7.978 -0.496 1.00 24.32 N ATOM 875 CA PHE A 54 -7.888 7.540 0.799 1.00 71.00 C ATOM 876 C PHE A 54 -6.768 7.371 1.846 1.00 52.53 C ATOM 877 O PHE A 54 -6.924 7.756 3.007 1.00 42.51 O ATOM 878 CB PHE A 54 -8.655 6.221 0.623 1.00 54.41 C ATOM 879 CG PHE A 54 -9.350 5.741 1.876 1.00 73.43 C ATOM 880 CD1 PHE A 54 -10.496 6.378 2.336 1.00 3.30 C ATOM 881 CD2 PHE A 54 -8.862 4.656 2.594 1.00 53.21 C ATOM 882 CE1 PHE A 54 -11.140 5.943 3.479 1.00 31.51 C ATOM 883 CE2 PHE A 54 -9.504 4.217 3.737 1.00 2.54 C ATOM 884 CZ PHE A 54 -10.643 4.861 4.182 1.00 32.22 C ATOM 0 H PHE A 54 -7.143 7.215 -1.139 1.00 24.32 H new ATOM 0 HA PHE A 54 -8.567 8.310 1.165 1.00 71.00 H new ATOM 0 HB2 PHE A 54 -9.397 6.347 -0.166 1.00 54.41 H new ATOM 0 HB3 PHE A 54 -7.960 5.451 0.288 1.00 54.41 H new ATOM 0 HD1 PHE A 54 -10.889 7.225 1.793 1.00 3.30 H new ATOM 0 HD2 PHE A 54 -7.970 4.150 2.255 1.00 53.21 H new ATOM 0 HE1 PHE A 54 -12.031 6.448 3.823 1.00 31.51 H new ATOM 0 HE2 PHE A 54 -9.115 3.370 4.283 1.00 2.54 H new ATOM 0 HZ PHE A 54 -11.143 4.520 5.076 1.00 32.22 H new ATOM 894 N LEU A 55 -5.642 6.800 1.426 1.00 53.44 N ATOM 895 CA LEU A 55 -4.502 6.556 2.323 1.00 30.54 C ATOM 896 C LEU A 55 -3.940 7.859 2.915 1.00 61.13 C ATOM 897 O LEU A 55 -3.557 7.905 4.082 1.00 2.42 O ATOM 898 CB LEU A 55 -3.389 5.805 1.575 1.00 44.04 C ATOM 899 CG LEU A 55 -3.755 4.394 1.083 1.00 3.42 C ATOM 900 CD1 LEU A 55 -2.584 3.763 0.330 1.00 23.34 C ATOM 901 CD2 LEU A 55 -4.189 3.511 2.251 1.00 43.35 C ATOM 0 H LEU A 55 -5.489 6.494 0.465 1.00 53.44 H new ATOM 0 HA LEU A 55 -4.868 5.947 3.149 1.00 30.54 H new ATOM 0 HB2 LEU A 55 -3.086 6.403 0.716 1.00 44.04 H new ATOM 0 HB3 LEU A 55 -2.522 5.728 2.232 1.00 44.04 H new ATOM 0 HG LEU A 55 -4.594 4.480 0.393 1.00 3.42 H new ATOM 0 HD11 LEU A 55 -2.864 2.766 -0.009 1.00 23.34 H new ATOM 0 HD12 LEU A 55 -2.330 4.381 -0.531 1.00 23.34 H new ATOM 0 HD13 LEU A 55 -1.721 3.692 0.993 1.00 23.34 H new ATOM 0 HD21 LEU A 55 -4.443 2.518 1.881 1.00 43.35 H new ATOM 0 HD22 LEU A 55 -3.374 3.433 2.970 1.00 43.35 H new ATOM 0 HD23 LEU A 55 -5.060 3.952 2.736 1.00 43.35 H new ATOM 913 N ARG A 56 -3.902 8.918 2.106 1.00 40.41 N ATOM 914 CA ARG A 56 -3.360 10.211 2.551 1.00 21.24 C ATOM 915 C ARG A 56 -4.136 10.797 3.742 1.00 14.03 C ATOM 916 O ARG A 56 -3.561 11.489 4.584 1.00 32.12 O ATOM 917 CB ARG A 56 -3.371 11.225 1.401 1.00 44.50 C ATOM 918 CG ARG A 56 -2.436 10.888 0.244 1.00 3.20 C ATOM 919 CD ARG A 56 -2.461 11.971 -0.833 1.00 40.55 C ATOM 920 NE ARG A 56 -3.792 12.147 -1.426 1.00 63.13 N ATOM 921 CZ ARG A 56 -4.668 13.043 -1.040 1.00 42.44 C ATOM 922 NH1 ARG A 56 -4.407 13.844 -0.055 1.00 54.00 N ATOM 923 NH2 ARG A 56 -5.800 13.146 -1.652 1.00 72.11 N ATOM 0 H ARG A 56 -4.237 8.911 1.143 1.00 40.41 H new ATOM 0 HA ARG A 56 -2.336 10.021 2.874 1.00 21.24 H new ATOM 0 HB2 ARG A 56 -4.388 11.307 1.017 1.00 44.50 H new ATOM 0 HB3 ARG A 56 -3.100 12.204 1.796 1.00 44.50 H new ATOM 0 HG2 ARG A 56 -1.419 10.771 0.619 1.00 3.20 H new ATOM 0 HG3 ARG A 56 -2.727 9.933 -0.193 1.00 3.20 H new ATOM 0 HD2 ARG A 56 -2.132 12.916 -0.400 1.00 40.55 H new ATOM 0 HD3 ARG A 56 -1.749 11.715 -1.617 1.00 40.55 H new ATOM 0 HE ARG A 56 -4.054 11.528 -2.193 1.00 63.13 H new ATOM 0 HH11 ARG A 56 -3.512 13.782 0.430 1.00 54.00 H new ATOM 0 HH12 ARG A 56 -5.097 14.537 0.236 1.00 54.00 H new ATOM 0 HH21 ARG A 56 -6.014 12.530 -2.436 1.00 72.11 H new ATOM 0 HH22 ARG A 56 -6.481 13.843 -1.351 1.00 72.11 H new ATOM 937 N LYS A 57 -5.442 10.538 3.796 1.00 74.41 N ATOM 938 CA LYS A 57 -6.291 11.078 4.868 1.00 14.23 C ATOM 939 C LYS A 57 -6.482 10.073 6.015 1.00 4.12 C ATOM 940 O LYS A 57 -6.709 10.463 7.159 1.00 24.41 O ATOM 941 CB LYS A 57 -7.663 11.489 4.308 1.00 43.33 C ATOM 942 CG LYS A 57 -8.502 10.318 3.794 1.00 72.10 C ATOM 943 CD LYS A 57 -9.880 10.764 3.307 1.00 31.23 C ATOM 944 CE LYS A 57 -10.693 11.433 4.414 1.00 1.33 C ATOM 945 NZ LYS A 57 -10.904 10.534 5.581 1.00 63.31 N ATOM 0 H LYS A 57 -5.937 9.961 3.116 1.00 74.41 H new ATOM 0 HA LYS A 57 -5.781 11.953 5.271 1.00 14.23 H new ATOM 0 HB2 LYS A 57 -8.221 12.008 5.087 1.00 43.33 H new ATOM 0 HB3 LYS A 57 -7.514 12.200 3.495 1.00 43.33 H new ATOM 0 HG2 LYS A 57 -7.973 9.825 2.979 1.00 72.10 H new ATOM 0 HG3 LYS A 57 -8.620 9.582 4.589 1.00 72.10 H new ATOM 0 HD2 LYS A 57 -9.763 11.458 2.475 1.00 31.23 H new ATOM 0 HD3 LYS A 57 -10.427 9.901 2.928 1.00 31.23 H new ATOM 0 HE2 LYS A 57 -10.180 12.337 4.743 1.00 1.33 H new ATOM 0 HE3 LYS A 57 -11.660 11.741 4.016 1.00 1.33 H new ATOM 0 HZ1 LYS A 57 -11.570 10.978 6.245 1.00 63.31 H new ATOM 0 HZ2 LYS A 57 -11.293 9.627 5.254 1.00 63.31 H new ATOM 0 HZ3 LYS A 57 -9.996 10.369 6.061 1.00 63.31 H new ATOM 959 N THR A 58 -6.402 8.779 5.704 1.00 63.05 N ATOM 960 CA THR A 58 -6.640 7.733 6.708 1.00 35.40 C ATOM 961 C THR A 58 -5.352 7.374 7.464 1.00 72.02 C ATOM 962 O THR A 58 -4.471 6.688 6.938 1.00 71.05 O ATOM 963 CB THR A 58 -7.245 6.458 6.081 1.00 35.02 C ATOM 964 OG1 THR A 58 -8.399 6.798 5.296 1.00 71.22 O ATOM 965 CG2 THR A 58 -7.652 5.454 7.158 1.00 22.02 C ATOM 0 H THR A 58 -6.176 8.428 4.773 1.00 63.05 H new ATOM 0 HA THR A 58 -7.361 8.144 7.415 1.00 35.40 H new ATOM 0 HB THR A 58 -6.484 6.003 5.447 1.00 35.02 H new ATOM 0 HG1 THR A 58 -8.809 5.980 4.945 1.00 71.22 H new ATOM 0 HG21 THR A 58 -8.075 4.567 6.687 1.00 22.02 H new ATOM 0 HG22 THR A 58 -6.776 5.172 7.743 1.00 22.02 H new ATOM 0 HG23 THR A 58 -8.396 5.906 7.814 1.00 22.02 H new ATOM 973 N ASP A 59 -5.283 7.830 8.711 1.00 32.42 N ATOM 974 CA ASP A 59 -4.087 7.719 9.557 1.00 74.32 C ATOM 975 C ASP A 59 -3.493 6.296 9.592 1.00 41.25 C ATOM 976 O ASP A 59 -2.353 6.079 9.168 1.00 23.51 O ATOM 977 CB ASP A 59 -4.448 8.179 10.973 1.00 14.43 C ATOM 978 CG ASP A 59 -3.305 8.032 11.958 1.00 15.14 C ATOM 979 OD1 ASP A 59 -2.278 8.715 11.786 1.00 11.50 O ATOM 980 OD2 ASP A 59 -3.429 7.233 12.909 1.00 10.21 O ATOM 0 H ASP A 59 -6.064 8.294 9.174 1.00 32.42 H new ATOM 0 HA ASP A 59 -3.314 8.355 9.125 1.00 74.32 H new ATOM 0 HB2 ASP A 59 -4.759 9.223 10.941 1.00 14.43 H new ATOM 0 HB3 ASP A 59 -5.302 7.603 11.329 1.00 14.43 H new ATOM 985 N TRP A 60 -4.258 5.336 10.105 1.00 23.31 N ATOM 986 CA TRP A 60 -3.757 3.968 10.285 1.00 21.13 C ATOM 987 C TRP A 60 -3.540 3.252 8.939 1.00 53.34 C ATOM 988 O TRP A 60 -2.547 2.552 8.754 1.00 34.42 O ATOM 989 CB TRP A 60 -4.717 3.157 11.174 1.00 72.32 C ATOM 990 CG TRP A 60 -5.991 2.741 10.492 1.00 53.42 C ATOM 991 CD1 TRP A 60 -7.089 3.512 10.246 1.00 15.53 C ATOM 992 CD2 TRP A 60 -6.289 1.441 9.972 1.00 23.11 C ATOM 993 NE1 TRP A 60 -8.050 2.769 9.602 1.00 32.11 N ATOM 994 CE2 TRP A 60 -7.581 1.494 9.423 1.00 41.11 C ATOM 995 CE3 TRP A 60 -5.583 0.236 9.917 1.00 1.41 C ATOM 996 CZ2 TRP A 60 -8.181 0.390 8.825 1.00 33.42 C ATOM 997 CZ3 TRP A 60 -6.178 -0.861 9.323 1.00 41.42 C ATOM 998 CH2 TRP A 60 -7.468 -0.778 8.783 1.00 75.34 C ATOM 0 H TRP A 60 -5.223 5.475 10.404 1.00 23.31 H new ATOM 0 HA TRP A 60 -2.788 4.038 10.778 1.00 21.13 H new ATOM 0 HB2 TRP A 60 -4.200 2.265 11.527 1.00 72.32 H new ATOM 0 HB3 TRP A 60 -4.967 3.750 12.054 1.00 72.32 H new ATOM 0 HD1 TRP A 60 -7.189 4.553 10.517 1.00 15.53 H new ATOM 0 HE1 TRP A 60 -8.964 3.111 9.306 1.00 32.11 H new ATOM 0 HE3 TRP A 60 -4.589 0.163 10.332 1.00 1.41 H new ATOM 0 HZ2 TRP A 60 -9.175 0.452 8.408 1.00 33.42 H new ATOM 0 HZ3 TRP A 60 -5.640 -1.796 9.274 1.00 41.42 H new ATOM 0 HH2 TRP A 60 -7.908 -1.652 8.325 1.00 75.34 H new ATOM 1009 N ALA A 61 -4.467 3.445 7.998 1.00 51.04 N ATOM 1010 CA ALA A 61 -4.426 2.738 6.711 1.00 70.51 C ATOM 1011 C ALA A 61 -3.100 2.947 5.971 1.00 43.43 C ATOM 1012 O ALA A 61 -2.476 1.981 5.529 1.00 32.40 O ATOM 1013 CB ALA A 61 -5.594 3.161 5.829 1.00 52.15 C ATOM 0 H ALA A 61 -5.255 4.084 8.101 1.00 51.04 H new ATOM 0 HA ALA A 61 -4.510 1.674 6.932 1.00 70.51 H new ATOM 0 HB1 ALA A 61 -5.546 2.626 4.880 1.00 52.15 H new ATOM 0 HB2 ALA A 61 -6.533 2.926 6.331 1.00 52.15 H new ATOM 0 HB3 ALA A 61 -5.540 4.234 5.644 1.00 52.15 H new ATOM 1019 N ARG A 62 -2.663 4.202 5.837 1.00 43.53 N ATOM 1020 CA ARG A 62 -1.408 4.485 5.135 1.00 15.12 C ATOM 1021 C ARG A 62 -0.212 3.823 5.828 1.00 53.20 C ATOM 1022 O ARG A 62 0.542 3.091 5.199 1.00 3.14 O ATOM 1023 CB ARG A 62 -1.120 5.986 5.016 1.00 3.43 C ATOM 1024 CG ARG A 62 0.203 6.242 4.293 1.00 11.35 C ATOM 1025 CD ARG A 62 0.694 7.676 4.399 1.00 31.53 C ATOM 1026 NE ARG A 62 2.036 7.795 3.831 1.00 4.41 N ATOM 1027 CZ ARG A 62 2.703 8.903 3.716 1.00 23.24 C ATOM 1028 NH1 ARG A 62 2.205 10.022 4.139 1.00 23.11 N ATOM 1029 NH2 ARG A 62 3.886 8.880 3.194 1.00 34.42 N ATOM 0 H ARG A 62 -3.148 5.024 6.197 1.00 43.53 H new ATOM 0 HA ARG A 62 -1.539 4.070 4.135 1.00 15.12 H new ATOM 0 HB2 ARG A 62 -1.932 6.473 4.476 1.00 3.43 H new ATOM 0 HB3 ARG A 62 -1.086 6.432 6.010 1.00 3.43 H new ATOM 0 HG2 ARG A 62 0.964 5.577 4.701 1.00 11.35 H new ATOM 0 HG3 ARG A 62 0.086 5.985 3.240 1.00 11.35 H new ATOM 0 HD2 ARG A 62 0.009 8.342 3.874 1.00 31.53 H new ATOM 0 HD3 ARG A 62 0.705 7.988 5.443 1.00 31.53 H new ATOM 0 HE ARG A 62 2.483 6.941 3.499 1.00 4.41 H new ATOM 0 HH11 ARG A 62 1.280 10.039 4.568 1.00 23.11 H new ATOM 0 HH12 ARG A 62 2.738 10.886 4.043 1.00 23.11 H new ATOM 0 HH21 ARG A 62 4.287 7.997 2.877 1.00 34.42 H new ATOM 0 HH22 ARG A 62 4.418 9.745 3.099 1.00 34.42 H new ATOM 1043 N GLU A 63 -0.036 4.092 7.122 1.00 53.13 N ATOM 1044 CA GLU A 63 1.139 3.598 7.844 1.00 43.54 C ATOM 1045 C GLU A 63 1.182 2.057 7.861 1.00 74.13 C ATOM 1046 O GLU A 63 2.255 1.460 7.970 1.00 23.01 O ATOM 1047 CB GLU A 63 1.185 4.184 9.265 1.00 13.15 C ATOM 1048 CG GLU A 63 0.147 3.616 10.234 1.00 61.25 C ATOM 1049 CD GLU A 63 0.765 2.687 11.262 1.00 72.32 C ATOM 1050 OE1 GLU A 63 0.898 1.479 10.976 1.00 43.42 O ATOM 1051 OE2 GLU A 63 1.145 3.163 12.353 1.00 2.50 O ATOM 0 H GLU A 63 -0.683 4.642 7.687 1.00 53.13 H new ATOM 0 HA GLU A 63 2.030 3.935 7.314 1.00 43.54 H new ATOM 0 HB2 GLU A 63 2.178 4.013 9.680 1.00 13.15 H new ATOM 0 HB3 GLU A 63 1.047 5.263 9.201 1.00 13.15 H new ATOM 0 HG2 GLU A 63 -0.356 4.437 10.745 1.00 61.25 H new ATOM 0 HG3 GLU A 63 -0.615 3.076 9.671 1.00 61.25 H new ATOM 1058 N ARG A 64 0.013 1.416 7.743 1.00 33.21 N ATOM 1059 CA ARG A 64 -0.047 -0.033 7.502 1.00 41.42 C ATOM 1060 C ARG A 64 0.616 -0.375 6.154 1.00 42.43 C ATOM 1061 O ARG A 64 1.454 -1.270 6.069 1.00 35.24 O ATOM 1062 CB ARG A 64 -1.501 -0.533 7.489 1.00 12.12 C ATOM 1063 CG ARG A 64 -2.229 -0.474 8.832 1.00 61.33 C ATOM 1064 CD ARG A 64 -1.668 -1.457 9.859 1.00 10.42 C ATOM 1065 NE ARG A 64 -0.551 -0.899 10.619 1.00 1.45 N ATOM 1066 CZ ARG A 64 0.018 -1.496 11.633 1.00 31.50 C ATOM 1067 NH1 ARG A 64 -0.339 -2.685 11.991 1.00 23.43 N ATOM 1068 NH2 ARG A 64 0.949 -0.891 12.290 1.00 33.41 N ATOM 0 H ARG A 64 -0.897 1.872 7.810 1.00 33.21 H new ATOM 0 HA ARG A 64 0.488 -0.527 8.313 1.00 41.42 H new ATOM 0 HB2 ARG A 64 -2.063 0.056 6.765 1.00 12.12 H new ATOM 0 HB3 ARG A 64 -1.509 -1.564 7.136 1.00 12.12 H new ATOM 0 HG2 ARG A 64 -2.162 0.538 9.231 1.00 61.33 H new ATOM 0 HG3 ARG A 64 -3.287 -0.685 8.675 1.00 61.33 H new ATOM 0 HD2 ARG A 64 -2.461 -1.750 10.547 1.00 10.42 H new ATOM 0 HD3 ARG A 64 -1.339 -2.362 9.348 1.00 10.42 H new ATOM 0 HE ARG A 64 -0.193 0.014 10.340 1.00 1.45 H new ATOM 0 HH11 ARG A 64 -1.075 -3.172 11.480 1.00 23.43 H new ATOM 0 HH12 ARG A 64 0.115 -3.137 12.785 1.00 23.43 H new ATOM 0 HH21 ARG A 64 1.238 0.049 12.017 1.00 33.41 H new ATOM 0 HH22 ARG A 64 1.396 -1.352 13.082 1.00 33.41 H new ATOM 1082 N VAL A 65 0.228 0.357 5.106 1.00 53.04 N ATOM 1083 CA VAL A 65 0.807 0.185 3.763 1.00 63.31 C ATOM 1084 C VAL A 65 2.325 0.459 3.769 1.00 50.13 C ATOM 1085 O VAL A 65 3.109 -0.307 3.203 1.00 15.31 O ATOM 1086 CB VAL A 65 0.108 1.118 2.737 1.00 71.14 C ATOM 1087 CG1 VAL A 65 0.719 0.979 1.345 1.00 1.34 C ATOM 1088 CG2 VAL A 65 -1.395 0.842 2.695 1.00 61.51 C ATOM 0 H VAL A 65 -0.489 1.080 5.159 1.00 53.04 H new ATOM 0 HA VAL A 65 0.644 -0.851 3.467 1.00 63.31 H new ATOM 0 HB VAL A 65 0.264 2.146 3.065 1.00 71.14 H new ATOM 0 HG11 VAL A 65 0.205 1.647 0.654 1.00 1.34 H new ATOM 0 HG12 VAL A 65 1.776 1.241 1.384 1.00 1.34 H new ATOM 0 HG13 VAL A 65 0.613 -0.050 1.002 1.00 1.34 H new ATOM 0 HG21 VAL A 65 -1.867 1.506 1.970 1.00 61.51 H new ATOM 0 HG22 VAL A 65 -1.567 -0.194 2.404 1.00 61.51 H new ATOM 0 HG23 VAL A 65 -1.825 1.017 3.681 1.00 61.51 H new ATOM 1098 N GLU A 66 2.725 1.555 4.418 1.00 4.51 N ATOM 1099 CA GLU A 66 4.144 1.873 4.637 1.00 11.21 C ATOM 1100 C GLU A 66 4.878 0.667 5.252 1.00 13.03 C ATOM 1101 O GLU A 66 5.984 0.303 4.837 1.00 52.02 O ATOM 1102 CB GLU A 66 4.265 3.078 5.588 1.00 15.04 C ATOM 1103 CG GLU A 66 3.677 4.390 5.056 1.00 41.21 C ATOM 1104 CD GLU A 66 4.596 5.134 4.090 1.00 13.35 C ATOM 1105 OE1 GLU A 66 5.834 5.005 4.215 1.00 51.34 O ATOM 1106 OE2 GLU A 66 4.080 5.871 3.220 1.00 32.43 O ATOM 0 H GLU A 66 2.082 2.245 4.806 1.00 4.51 H new ATOM 0 HA GLU A 66 4.598 2.113 3.676 1.00 11.21 H new ATOM 0 HB2 GLU A 66 3.770 2.831 6.527 1.00 15.04 H new ATOM 0 HB3 GLU A 66 5.319 3.237 5.816 1.00 15.04 H new ATOM 0 HG2 GLU A 66 2.734 4.176 4.553 1.00 41.21 H new ATOM 0 HG3 GLU A 66 3.448 5.042 5.899 1.00 41.21 H new ATOM 1113 N ASN A 67 4.236 0.055 6.247 1.00 50.51 N ATOM 1114 CA ASN A 67 4.780 -1.108 6.950 1.00 72.24 C ATOM 1115 C ASN A 67 4.860 -2.337 6.020 1.00 53.14 C ATOM 1116 O ASN A 67 5.847 -3.076 6.037 1.00 42.21 O ATOM 1117 CB ASN A 67 3.911 -1.402 8.182 1.00 75.22 C ATOM 1118 CG ASN A 67 4.529 -2.402 9.147 1.00 21.22 C ATOM 1119 OD1 ASN A 67 5.232 -3.326 8.751 1.00 44.30 O ATOM 1120 ND2 ASN A 67 4.285 -2.214 10.430 1.00 74.12 N ATOM 0 H ASN A 67 3.322 0.352 6.589 1.00 50.51 H new ATOM 0 HA ASN A 67 5.797 -0.886 7.273 1.00 72.24 H new ATOM 0 HB2 ASN A 67 3.722 -0.469 8.713 1.00 75.22 H new ATOM 0 HB3 ASN A 67 2.944 -1.781 7.851 1.00 75.22 H new ATOM 0 HD21 ASN A 67 4.685 -2.846 11.123 1.00 74.12 H new ATOM 0 HD22 ASN A 67 3.696 -1.436 10.729 1.00 74.12 H new ATOM 1127 N ILE A 68 3.830 -2.542 5.194 1.00 4.44 N ATOM 1128 CA ILE A 68 3.810 -3.666 4.243 1.00 32.11 C ATOM 1129 C ILE A 68 5.027 -3.629 3.302 1.00 25.13 C ATOM 1130 O ILE A 68 5.612 -4.668 2.984 1.00 65.03 O ATOM 1131 CB ILE A 68 2.509 -3.684 3.397 1.00 11.52 C ATOM 1132 CG1 ILE A 68 1.283 -3.864 4.302 1.00 60.23 C ATOM 1133 CG2 ILE A 68 2.563 -4.791 2.338 1.00 34.32 C ATOM 1134 CD1 ILE A 68 -0.034 -3.848 3.555 1.00 1.04 C ATOM 0 H ILE A 68 3.001 -1.949 5.162 1.00 4.44 H new ATOM 0 HA ILE A 68 3.850 -4.576 4.842 1.00 32.11 H new ATOM 0 HB ILE A 68 2.423 -2.726 2.883 1.00 11.52 H new ATOM 0 HG12 ILE A 68 1.374 -4.808 4.839 1.00 60.23 H new ATOM 0 HG13 ILE A 68 1.276 -3.071 5.050 1.00 60.23 H new ATOM 0 HG21 ILE A 68 1.641 -4.784 1.757 1.00 34.32 H new ATOM 0 HG22 ILE A 68 3.411 -4.619 1.675 1.00 34.32 H new ATOM 0 HG23 ILE A 68 2.676 -5.758 2.828 1.00 34.32 H new ATOM 0 HD11 ILE A 68 -0.854 -3.981 4.261 1.00 1.04 H new ATOM 0 HD12 ILE A 68 -0.149 -2.894 3.040 1.00 1.04 H new ATOM 0 HD13 ILE A 68 -0.048 -4.658 2.826 1.00 1.04 H new ATOM 1146 N TYR A 69 5.410 -2.431 2.863 1.00 34.35 N ATOM 1147 CA TYR A 69 6.606 -2.279 2.034 1.00 52.31 C ATOM 1148 C TYR A 69 7.865 -2.654 2.830 1.00 2.11 C ATOM 1149 O TYR A 69 8.744 -3.350 2.321 1.00 31.40 O ATOM 1150 CB TYR A 69 6.725 -0.852 1.487 1.00 35.30 C ATOM 1151 CG TYR A 69 7.883 -0.680 0.519 1.00 15.23 C ATOM 1152 CD1 TYR A 69 7.953 -1.437 -0.648 1.00 64.13 C ATOM 1153 CD2 TYR A 69 8.910 0.222 0.777 1.00 71.45 C ATOM 1154 CE1 TYR A 69 9.011 -1.299 -1.526 1.00 72.33 C ATOM 1155 CE2 TYR A 69 9.970 0.362 -0.097 1.00 10.22 C ATOM 1156 CZ TYR A 69 10.016 -0.399 -1.245 1.00 14.31 C ATOM 1157 OH TYR A 69 11.080 -0.269 -2.110 1.00 45.54 O ATOM 0 H TYR A 69 4.917 -1.561 3.064 1.00 34.35 H new ATOM 0 HA TYR A 69 6.513 -2.958 1.186 1.00 52.31 H new ATOM 0 HB2 TYR A 69 5.796 -0.583 0.984 1.00 35.30 H new ATOM 0 HB3 TYR A 69 6.849 -0.159 2.319 1.00 35.30 H new ATOM 0 HD1 TYR A 69 7.167 -2.144 -0.870 1.00 64.13 H new ATOM 0 HD2 TYR A 69 8.878 0.822 1.674 1.00 71.45 H new ATOM 0 HE1 TYR A 69 9.050 -1.893 -2.427 1.00 72.33 H new ATOM 0 HE2 TYR A 69 10.760 1.066 0.118 1.00 10.22 H new ATOM 0 HH TYR A 69 10.786 -0.470 -3.023 1.00 45.54 H new ATOM 1167 N LEU A 70 7.936 -2.210 4.086 1.00 23.41 N ATOM 1168 CA LEU A 70 9.034 -2.604 4.980 1.00 52.34 C ATOM 1169 C LEU A 70 9.106 -4.134 5.114 1.00 63.40 C ATOM 1170 O LEU A 70 10.191 -4.715 5.162 1.00 42.03 O ATOM 1171 CB LEU A 70 8.859 -1.960 6.365 1.00 41.31 C ATOM 1172 CG LEU A 70 8.848 -0.421 6.381 1.00 45.40 C ATOM 1173 CD1 LEU A 70 8.656 0.105 7.801 1.00 33.11 C ATOM 1174 CD2 LEU A 70 10.130 0.139 5.762 1.00 52.44 C ATOM 0 H LEU A 70 7.253 -1.581 4.508 1.00 23.41 H new ATOM 0 HA LEU A 70 9.968 -2.250 4.544 1.00 52.34 H new ATOM 0 HB2 LEU A 70 7.925 -2.318 6.798 1.00 41.31 H new ATOM 0 HB3 LEU A 70 9.664 -2.307 7.013 1.00 41.31 H new ATOM 0 HG LEU A 70 8.006 -0.082 5.778 1.00 45.40 H new ATOM 0 HD11 LEU A 70 8.652 1.195 7.788 1.00 33.11 H new ATOM 0 HD12 LEU A 70 7.708 -0.257 8.198 1.00 33.11 H new ATOM 0 HD13 LEU A 70 9.472 -0.247 8.433 1.00 33.11 H new ATOM 0 HD21 LEU A 70 10.099 1.228 5.784 1.00 52.44 H new ATOM 0 HD22 LEU A 70 10.992 -0.211 6.330 1.00 52.44 H new ATOM 0 HD23 LEU A 70 10.214 -0.200 4.730 1.00 52.44 H new ATOM 1186 N LYS A 71 7.940 -4.780 5.153 1.00 21.41 N ATOM 1187 CA LYS A 71 7.858 -6.245 5.168 1.00 34.04 C ATOM 1188 C LYS A 71 8.487 -6.857 3.904 1.00 75.03 C ATOM 1189 O LYS A 71 8.987 -7.980 3.931 1.00 22.54 O ATOM 1190 CB LYS A 71 6.401 -6.702 5.296 1.00 41.31 C ATOM 1191 CG LYS A 71 5.765 -6.383 6.646 1.00 2.43 C ATOM 1192 CD LYS A 71 4.297 -6.807 6.694 1.00 72.14 C ATOM 1193 CE LYS A 71 4.119 -8.289 6.373 1.00 31.13 C ATOM 1194 NZ LYS A 71 4.827 -9.162 7.345 1.00 40.23 N ATOM 0 H LYS A 71 7.034 -4.311 5.175 1.00 21.41 H new ATOM 0 HA LYS A 71 8.421 -6.595 6.034 1.00 34.04 H new ATOM 0 HB2 LYS A 71 5.813 -6.230 4.509 1.00 41.31 H new ATOM 0 HB3 LYS A 71 6.353 -7.778 5.129 1.00 41.31 H new ATOM 0 HG2 LYS A 71 6.317 -6.891 7.437 1.00 2.43 H new ATOM 0 HG3 LYS A 71 5.841 -5.313 6.840 1.00 2.43 H new ATOM 0 HD2 LYS A 71 3.892 -6.599 7.684 1.00 72.14 H new ATOM 0 HD3 LYS A 71 3.724 -6.211 5.984 1.00 72.14 H new ATOM 0 HE2 LYS A 71 3.057 -8.534 6.373 1.00 31.13 H new ATOM 0 HE3 LYS A 71 4.492 -8.489 5.369 1.00 31.13 H new ATOM 0 HZ1 LYS A 71 4.597 -10.157 7.150 1.00 40.23 H new ATOM 0 HZ2 LYS A 71 5.853 -9.020 7.255 1.00 40.23 H new ATOM 0 HZ3 LYS A 71 4.527 -8.920 8.311 1.00 40.23 H new ATOM 1208 N LEU A 72 8.447 -6.117 2.795 1.00 13.50 N ATOM 1209 CA LEU A 72 9.104 -6.555 1.558 1.00 45.31 C ATOM 1210 C LEU A 72 10.629 -6.559 1.738 1.00 63.41 C ATOM 1211 O LEU A 72 11.306 -7.515 1.358 1.00 72.51 O ATOM 1212 CB LEU A 72 8.705 -5.656 0.375 1.00 13.13 C ATOM 1213 CG LEU A 72 9.286 -6.060 -0.994 1.00 3.41 C ATOM 1214 CD1 LEU A 72 8.833 -7.467 -1.385 1.00 42.30 C ATOM 1215 CD2 LEU A 72 8.892 -5.045 -2.069 1.00 50.24 C ATOM 0 H LEU A 72 7.971 -5.218 2.725 1.00 13.50 H new ATOM 0 HA LEU A 72 8.774 -7.570 1.337 1.00 45.31 H new ATOM 0 HB2 LEU A 72 7.618 -5.647 0.300 1.00 13.13 H new ATOM 0 HB3 LEU A 72 9.018 -4.636 0.596 1.00 13.13 H new ATOM 0 HG LEU A 72 10.373 -6.066 -0.912 1.00 3.41 H new ATOM 0 HD11 LEU A 72 9.256 -7.729 -2.355 1.00 42.30 H new ATOM 0 HD12 LEU A 72 9.174 -8.181 -0.635 1.00 42.30 H new ATOM 0 HD13 LEU A 72 7.745 -7.496 -1.444 1.00 42.30 H new ATOM 0 HD21 LEU A 72 9.312 -5.349 -3.028 1.00 50.24 H new ATOM 0 HD22 LEU A 72 7.806 -5.001 -2.147 1.00 50.24 H new ATOM 0 HD23 LEU A 72 9.277 -4.062 -1.799 1.00 50.24 H new ATOM 1227 N GLN A 73 11.164 -5.493 2.341 1.00 34.11 N ATOM 1228 CA GLN A 73 12.599 -5.437 2.669 1.00 31.44 C ATOM 1229 C GLN A 73 12.966 -6.511 3.710 1.00 3.43 C ATOM 1230 O GLN A 73 14.073 -7.046 3.697 1.00 12.21 O ATOM 1231 CB GLN A 73 13.004 -4.044 3.194 1.00 14.01 C ATOM 1232 CG GLN A 73 12.992 -2.933 2.142 1.00 52.11 C ATOM 1233 CD GLN A 73 11.596 -2.538 1.702 1.00 71.00 C ATOM 1234 OE1 GLN A 73 10.972 -1.664 2.291 1.00 33.01 O ATOM 1235 NE2 GLN A 73 11.097 -3.171 0.658 1.00 32.21 N ATOM 0 H GLN A 73 10.635 -4.664 2.611 1.00 34.11 H new ATOM 0 HA GLN A 73 13.148 -5.631 1.748 1.00 31.44 H new ATOM 0 HB2 GLN A 73 12.329 -3.766 4.003 1.00 14.01 H new ATOM 0 HB3 GLN A 73 14.004 -4.109 3.622 1.00 14.01 H new ATOM 0 HG2 GLN A 73 13.500 -2.056 2.544 1.00 52.11 H new ATOM 0 HG3 GLN A 73 13.561 -3.260 1.272 1.00 52.11 H new ATOM 0 HE21 GLN A 73 11.644 -3.894 0.191 1.00 32.21 H new ATOM 0 HE22 GLN A 73 10.164 -2.937 0.318 1.00 32.21 H new ATOM 1244 N ARG A 74 12.031 -6.823 4.611 1.00 2.42 N ATOM 1245 CA ARG A 74 12.222 -7.915 5.580 1.00 4.11 C ATOM 1246 C ARG A 74 12.221 -9.274 4.880 1.00 62.34 C ATOM 1247 O ARG A 74 12.968 -10.182 5.253 1.00 64.31 O ATOM 1248 CB ARG A 74 11.124 -7.893 6.652 1.00 1.50 C ATOM 1249 CG ARG A 74 11.189 -6.685 7.570 1.00 61.44 C ATOM 1250 CD ARG A 74 12.541 -6.583 8.273 1.00 51.35 C ATOM 1251 NE ARG A 74 12.895 -7.830 8.953 1.00 72.20 N ATOM 1252 CZ ARG A 74 14.062 -8.084 9.481 1.00 30.22 C ATOM 1253 NH1 ARG A 74 15.025 -7.219 9.421 1.00 53.54 N ATOM 1254 NH2 ARG A 74 14.271 -9.224 10.047 1.00 55.50 N ATOM 0 H ARG A 74 11.137 -6.340 4.693 1.00 2.42 H new ATOM 0 HA ARG A 74 13.190 -7.763 6.058 1.00 4.11 H new ATOM 0 HB2 ARG A 74 10.150 -7.914 6.162 1.00 1.50 H new ATOM 0 HB3 ARG A 74 11.198 -8.799 7.253 1.00 1.50 H new ATOM 0 HG2 ARG A 74 11.010 -5.778 6.992 1.00 61.44 H new ATOM 0 HG3 ARG A 74 10.396 -6.750 8.314 1.00 61.44 H new ATOM 0 HD2 ARG A 74 13.312 -6.335 7.544 1.00 51.35 H new ATOM 0 HD3 ARG A 74 12.514 -5.769 8.997 1.00 51.35 H new ATOM 0 HE ARG A 74 12.178 -8.553 9.019 1.00 72.20 H new ATOM 0 HH11 ARG A 74 14.878 -6.323 8.956 1.00 53.54 H new ATOM 0 HH12 ARG A 74 15.930 -7.434 9.839 1.00 53.54 H new ATOM 0 HH21 ARG A 74 13.527 -9.921 10.080 1.00 55.50 H new ATOM 0 HH22 ARG A 74 15.180 -9.429 10.461 1.00 55.50 H new ATOM 1268 N HIS A 75 11.365 -9.411 3.874 1.00 1.21 N ATOM 1269 CA HIS A 75 11.332 -10.621 3.058 1.00 24.35 C ATOM 1270 C HIS A 75 12.518 -10.637 2.081 1.00 24.34 C ATOM 1271 O HIS A 75 12.865 -11.674 1.513 1.00 50.13 O ATOM 1272 CB HIS A 75 10.009 -10.712 2.286 1.00 0.41 C ATOM 1273 CG HIS A 75 9.851 -11.989 1.510 1.00 45.25 C ATOM 1274 ND1 HIS A 75 10.279 -12.140 0.206 1.00 41.11 N ATOM 1275 CD2 HIS A 75 9.313 -13.183 1.861 1.00 64.10 C ATOM 1276 CE1 HIS A 75 10.014 -13.362 -0.207 1.00 30.40 C ATOM 1277 NE2 HIS A 75 9.428 -14.015 0.773 1.00 4.11 N ATOM 0 H HIS A 75 10.685 -8.701 3.603 1.00 1.21 H new ATOM 0 HA HIS A 75 11.409 -11.485 3.718 1.00 24.35 H new ATOM 0 HB2 HIS A 75 9.181 -10.619 2.989 1.00 0.41 H new ATOM 0 HB3 HIS A 75 9.940 -9.869 1.599 1.00 0.41 H new ATOM 0 HD2 HIS A 75 8.876 -13.433 2.816 1.00 64.10 H new ATOM 0 HE1 HIS A 75 10.240 -13.761 -1.185 1.00 30.40 H new ATOM 0 HE2 HIS A 75 9.110 -14.983 0.732 1.00 4.11 H new ATOM 1286 N LYS A 76 13.123 -9.468 1.888 1.00 72.44 N ATOM 1287 CA LYS A 76 14.300 -9.314 1.036 1.00 45.23 C ATOM 1288 C LYS A 76 15.552 -9.877 1.735 1.00 63.51 C ATOM 1289 O LYS A 76 16.469 -9.142 2.106 1.00 41.20 O ATOM 1290 CB LYS A 76 14.492 -7.826 0.695 1.00 71.12 C ATOM 1291 CG LYS A 76 15.496 -7.553 -0.414 1.00 30.55 C ATOM 1292 CD LYS A 76 15.006 -8.086 -1.755 1.00 31.11 C ATOM 1293 CE LYS A 76 15.979 -7.762 -2.876 1.00 12.21 C ATOM 1294 NZ LYS A 76 16.209 -6.298 -3.007 1.00 33.12 N ATOM 0 H LYS A 76 12.810 -8.598 2.319 1.00 72.44 H new ATOM 0 HA LYS A 76 14.151 -9.875 0.114 1.00 45.23 H new ATOM 0 HB2 LYS A 76 13.529 -7.406 0.406 1.00 71.12 H new ATOM 0 HB3 LYS A 76 14.812 -7.300 1.594 1.00 71.12 H new ATOM 0 HG2 LYS A 76 15.673 -6.480 -0.490 1.00 30.55 H new ATOM 0 HG3 LYS A 76 16.451 -8.016 -0.164 1.00 30.55 H new ATOM 0 HD2 LYS A 76 14.871 -9.166 -1.690 1.00 31.11 H new ATOM 0 HD3 LYS A 76 14.031 -7.656 -1.984 1.00 31.11 H new ATOM 0 HE2 LYS A 76 16.929 -8.263 -2.688 1.00 12.21 H new ATOM 0 HE3 LYS A 76 15.592 -8.154 -3.817 1.00 12.21 H new ATOM 0 HZ1 LYS A 76 16.648 -6.097 -3.928 1.00 33.12 H new ATOM 0 HZ2 LYS A 76 15.300 -5.796 -2.940 1.00 33.12 H new ATOM 0 HZ3 LYS A 76 16.839 -5.976 -2.245 1.00 33.12 H new ATOM 1308 N GLU A 77 15.555 -11.189 1.940 1.00 22.11 N ATOM 1309 CA GLU A 77 16.672 -11.886 2.586 1.00 71.44 C ATOM 1310 C GLU A 77 17.790 -12.172 1.574 1.00 54.51 C ATOM 1311 O GLU A 77 18.966 -12.280 1.924 1.00 54.24 O ATOM 1312 CB GLU A 77 16.164 -13.203 3.193 1.00 71.22 C ATOM 1313 CG GLU A 77 14.927 -13.037 4.072 1.00 63.14 C ATOM 1314 CD GLU A 77 14.300 -14.367 4.461 1.00 10.13 C ATOM 1315 OE1 GLU A 77 13.779 -15.066 3.566 1.00 70.12 O ATOM 1316 OE2 GLU A 77 14.331 -14.726 5.656 1.00 41.20 O ATOM 0 H GLU A 77 14.788 -11.802 1.666 1.00 22.11 H new ATOM 0 HA GLU A 77 17.078 -11.251 3.373 1.00 71.44 H new ATOM 0 HB2 GLU A 77 15.935 -13.900 2.387 1.00 71.22 H new ATOM 0 HB3 GLU A 77 16.962 -13.652 3.785 1.00 71.22 H new ATOM 0 HG2 GLU A 77 15.199 -12.490 4.975 1.00 63.14 H new ATOM 0 HG3 GLU A 77 14.189 -12.433 3.544 1.00 63.14 H new ATOM 1323 N ARG A 78 17.395 -12.286 0.310 1.00 14.43 N ATOM 1324 CA ARG A 78 18.318 -12.593 -0.782 1.00 33.32 C ATOM 1325 C ARG A 78 19.048 -11.329 -1.265 1.00 31.12 C ATOM 1326 O ARG A 78 18.644 -10.682 -2.233 1.00 23.53 O ATOM 1327 CB ARG A 78 17.534 -13.248 -1.922 1.00 51.22 C ATOM 1328 CG ARG A 78 18.378 -13.759 -3.082 1.00 44.14 C ATOM 1329 CD ARG A 78 17.501 -14.441 -4.131 1.00 32.35 C ATOM 1330 NE ARG A 78 18.276 -14.980 -5.246 1.00 41.21 N ATOM 1331 CZ ARG A 78 17.883 -15.975 -5.997 1.00 61.32 C ATOM 1332 NH1 ARG A 78 16.754 -16.571 -5.771 1.00 1.00 N ATOM 1333 NH2 ARG A 78 18.625 -16.375 -6.970 1.00 4.43 N ATOM 0 H ARG A 78 16.427 -12.169 0.012 1.00 14.43 H new ATOM 0 HA ARG A 78 19.082 -13.284 -0.425 1.00 33.32 H new ATOM 0 HB2 ARG A 78 16.962 -14.082 -1.515 1.00 51.22 H new ATOM 0 HB3 ARG A 78 16.814 -12.526 -2.308 1.00 51.22 H new ATOM 0 HG2 ARG A 78 18.919 -12.929 -3.537 1.00 44.14 H new ATOM 0 HG3 ARG A 78 19.125 -14.462 -2.713 1.00 44.14 H new ATOM 0 HD2 ARG A 78 16.939 -15.248 -3.661 1.00 32.35 H new ATOM 0 HD3 ARG A 78 16.773 -13.725 -4.512 1.00 32.35 H new ATOM 0 HE ARG A 78 19.180 -14.554 -5.451 1.00 41.21 H new ATOM 0 HH11 ARG A 78 16.161 -16.265 -5.000 1.00 1.00 H new ATOM 0 HH12 ARG A 78 16.459 -17.346 -6.364 1.00 1.00 H new ATOM 0 HH21 ARG A 78 19.517 -15.916 -7.153 1.00 4.43 H new ATOM 0 HH22 ARG A 78 18.321 -17.151 -7.558 1.00 4.43 H new ATOM 1347 N ASN A 79 20.114 -10.982 -0.557 1.00 22.11 N ATOM 1348 CA ASN A 79 20.913 -9.780 -0.852 1.00 5.40 C ATOM 1349 C ASN A 79 22.392 -10.133 -1.070 1.00 12.34 C ATOM 1350 O ASN A 79 22.855 -11.201 -0.664 1.00 32.22 O ATOM 1351 CB ASN A 79 20.792 -8.772 0.299 1.00 54.33 C ATOM 1352 CG ASN A 79 19.372 -8.264 0.485 1.00 40.40 C ATOM 1353 OD1 ASN A 79 18.628 -8.091 -0.475 1.00 2.31 O ATOM 1354 ND2 ASN A 79 18.984 -8.025 1.720 1.00 14.24 N ATOM 0 H ASN A 79 20.457 -11.519 0.239 1.00 22.11 H new ATOM 0 HA ASN A 79 20.525 -9.338 -1.770 1.00 5.40 H new ATOM 0 HB2 ASN A 79 21.130 -9.240 1.224 1.00 54.33 H new ATOM 0 HB3 ASN A 79 21.454 -7.927 0.108 1.00 54.33 H new ATOM 0 HD21 ASN A 79 18.039 -7.685 1.901 1.00 14.24 H new ATOM 0 HD22 ASN A 79 19.628 -8.179 2.496 1.00 14.24 H new ATOM 1361 N GLN A 80 23.135 -9.220 -1.694 1.00 13.03 N ATOM 1362 CA GLN A 80 24.554 -9.443 -1.988 1.00 55.30 C ATOM 1363 C GLN A 80 25.275 -8.127 -2.348 1.00 53.53 C ATOM 1364 O GLN A 80 24.754 -7.302 -3.099 1.00 21.54 O ATOM 1365 CB GLN A 80 24.689 -10.468 -3.129 1.00 51.43 C ATOM 1366 CG GLN A 80 26.122 -10.722 -3.583 1.00 1.41 C ATOM 1367 CD GLN A 80 26.223 -11.874 -4.567 1.00 42.01 C ATOM 1368 OE1 GLN A 80 25.466 -12.838 -4.499 1.00 51.11 O ATOM 1369 NE2 GLN A 80 27.149 -11.782 -5.497 1.00 14.13 N ATOM 0 H GLN A 80 22.779 -8.317 -2.007 1.00 13.03 H new ATOM 0 HA GLN A 80 25.033 -9.836 -1.091 1.00 55.30 H new ATOM 0 HB2 GLN A 80 24.251 -11.412 -2.806 1.00 51.43 H new ATOM 0 HB3 GLN A 80 24.107 -10.122 -3.983 1.00 51.43 H new ATOM 0 HG2 GLN A 80 26.519 -9.818 -4.044 1.00 1.41 H new ATOM 0 HG3 GLN A 80 26.743 -10.935 -2.713 1.00 1.41 H new ATOM 0 HE21 GLN A 80 27.763 -10.968 -5.527 1.00 14.13 H new ATOM 0 HE22 GLN A 80 27.253 -12.525 -6.188 1.00 14.13 H new ATOM 1378 N LEU A 81 26.479 -7.940 -1.803 1.00 21.41 N ATOM 1379 CA LEU A 81 27.280 -6.731 -2.062 1.00 4.41 C ATOM 1380 C LEU A 81 28.073 -6.855 -3.372 1.00 13.43 C ATOM 1381 O LEU A 81 28.023 -7.889 -4.042 1.00 71.51 O ATOM 1382 CB LEU A 81 28.246 -6.477 -0.891 1.00 65.43 C ATOM 1383 CG LEU A 81 27.583 -6.273 0.482 1.00 63.32 C ATOM 1384 CD1 LEU A 81 28.637 -6.062 1.565 1.00 52.11 C ATOM 1385 CD2 LEU A 81 26.608 -5.097 0.446 1.00 34.55 C ATOM 0 H LEU A 81 26.926 -8.610 -1.177 1.00 21.41 H new ATOM 0 HA LEU A 81 26.594 -5.889 -2.158 1.00 4.41 H new ATOM 0 HB2 LEU A 81 28.934 -7.319 -0.821 1.00 65.43 H new ATOM 0 HB3 LEU A 81 28.844 -5.595 -1.121 1.00 65.43 H new ATOM 0 HG LEU A 81 27.020 -7.175 0.722 1.00 63.32 H new ATOM 0 HD11 LEU A 81 28.146 -5.920 2.528 1.00 52.11 H new ATOM 0 HD12 LEU A 81 29.287 -6.935 1.615 1.00 52.11 H new ATOM 0 HD13 LEU A 81 29.232 -5.180 1.327 1.00 52.11 H new ATOM 0 HD21 LEU A 81 26.152 -4.972 1.428 1.00 34.55 H new ATOM 0 HD22 LEU A 81 27.145 -4.187 0.177 1.00 34.55 H new ATOM 0 HD23 LEU A 81 25.831 -5.291 -0.293 1.00 34.55 H new ATOM 1397 N GLU A 82 28.812 -5.810 -3.722 1.00 70.42 N ATOM 1398 CA GLU A 82 29.617 -5.800 -4.953 1.00 22.21 C ATOM 1399 C GLU A 82 31.059 -6.306 -4.699 1.00 33.22 C ATOM 1400 O GLU A 82 31.871 -5.571 -4.090 1.00 38.94 O ATOM 1401 CB GLU A 82 29.618 -4.398 -5.614 1.00 72.13 C ATOM 1402 CG GLU A 82 30.018 -3.229 -4.703 1.00 21.34 C ATOM 1403 CD GLU A 82 28.955 -2.873 -3.674 1.00 74.30 C ATOM 1404 OE1 GLU A 82 27.920 -2.282 -4.059 1.00 60.33 O ATOM 1405 OE2 GLU A 82 29.143 -3.182 -2.477 1.00 51.32 O ATOM 0 H GLU A 82 28.876 -4.952 -3.174 1.00 70.42 H new ATOM 0 HA GLU A 82 29.150 -6.494 -5.651 1.00 22.21 H new ATOM 0 HB2 GLU A 82 30.298 -4.419 -6.465 1.00 72.13 H new ATOM 0 HB3 GLU A 82 28.621 -4.202 -6.008 1.00 72.13 H new ATOM 0 HG2 GLU A 82 30.944 -3.482 -4.186 1.00 21.34 H new ATOM 0 HG3 GLU A 82 30.225 -2.353 -5.318 1.00 21.34 H new TER 1412 GLU A 82